Clinical Diagnosis

Cas#: 3567-00-8        Compound CID:  72537

Formula:  C₁₅H₁₂O₅        Molecular Weight: 272.25

IUPAC Name: 5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one

SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O

InChIKey: FPNKCZKRICBAKG-UHFFFAOYSA-N

InChI: InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3

Cas#: 23537-16-8        Compound CID:  62769

Formula:  C₃₀H₂₂O₁₀        Molecular Weight: 542.49

IUPAC Name: 8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone

SMILES: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C(C5C3(C2=O)C6C(C5C47C(=C(C8=C(C7=O)C=C(C=C8O)C)O)C6=O)O)O)O

InChIKey: QFDPVUTXKUGISP-UHFFFAOYSA-N

InChI: InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3

Cas#: 1301214-47-0        Compound CID:  52934180

Formula:  C₂₃H₂₇N₅O₂        Molecular Weight: 405.49

IUPAC Name: 1'-(2-methyl-3H-benzimidazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

SMILES: CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4(CC3)CC5=C(C(=O)C4)N(N=C5)C(C)C

InChIKey: BDXXSFOJPYSYOC-UHFFFAOYSA-N

InChI: InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)

Cas#: 566939-85-3        Compound CID:  9796590

Formula:  C₁₈H₁₇N₃O₂        Molecular Weight: 307.35

IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N

InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1

Cas#: 876708-03-1        Compound CID:  11514721

Formula:  C₉H₁₂N₆O₅        Molecular Weight: 284.23

IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O

InChIKey: ODLGMSQBFONGNG-XZMZPDFPSA-N

InChI: InChI=1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6-,7+,9+/m0/s1

Cas#: 108825-65-6        Compound CID:  2737312

Formula:  C₁₅H₁₅N₅O        Molecular Weight: 281.31

IUPAC Name: N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

SMILES: CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)N(C)C(=O)C

InChIKey: WPAQLESUVYGUJZ-UHFFFAOYSA-N

InChI: InChI=1S/C15H15N5O/c1-10-16-17-15-8-7-14(18-20(10)15)12-5-4-6-13(9-12)19(3)11(2)21/h4-9H,1-3H3

Cas#: 6823-69-4        Compound CID:  16078967

Formula:  C₃₀H₃₀Cl₂N₆O₂        Molecular Weight: 577.50

IUPAC Name: (E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;dihydrochloride

SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C=CC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl

InChIKey: NSFKAZDTKIKLKT-CLEIDKRQSA-N

InChI: InChI=1S/C30H28N6O2.2ClH/c37-27(35-25-11-7-23(8-12-25)29-31-17-18-32-29)15-5-21-1-2-22(4-3-21)6-16-28(38)36-26-13-9-24(10-14-26)30-33-19-20-34-30;;/h1-16H,17-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38);2*1H/b15-5+,16-6+;;

Cas#: 147385-61-3        Compound CID:  44120072

Formula:  C₂₀H₃₈N₆O₄·xC₂HF₃O₂        Molecular Weight: 426.55 (free base basis)

IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;2,2,2-trifluoroacetic acid

SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.C(=O)(C(F)(F)F)O

InChIKey: WUHGBZVQELGOMH-FRKSIBALSA-N

InChI: InChI=1S/C20H38N6O4.C2HF3O2/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;3-2(4,5)1(6)7/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H,6,7)/t15-,16-,17-;/m0./s1

Cas#: 111406-87-2        Compound CID:  60490

Formula:  C₁₁H₁₂N₂O₂S        Molecular Weight: 236.29

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

Cas#: 49671-76-3        Compound CID:  899323

Formula:  C₁₇H₁₈N₂        Molecular Weight: 250.34

IUPAC Name: 2-(4-tert-butylphenyl)-1H-benzimidazole

SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

InChIKey: LQUNNCQSFFKSSK-UHFFFAOYSA-N

InChI: InChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)

Cas#: 1192750-33-6        Compound CID:  135870290

Formula:  C₃₅H₃₅N₅O₄        Molecular Weight: 589.68

IUPAC Name: 2-[4-[[7-(diethylamino)-4-hydroxy-2-oxochromen-3-yl]methylideneamino]phenyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)acetohydrazide

SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=NC3=CC=C(C=C3)CC(=O)NNC4=C5CCCCC5=NC6=CC=CC=C64)O

InChIKey: RSKDYQUBLFFWPM-UHFFFAOYSA-N

InChI: InChI=1S/C35H35N5O4/c1-3-40(4-2)24-17-18-27-31(20-24)44-35(43)28(34(27)42)21-36-23-15-13-22(14-16-23)19-32(41)38-39-33-25-9-5-7-11-29(25)37-30-12-8-6-10-26(30)33/h5,7,9,11,13-18,20-21,42H,3-4,6,8,10,12,19H2,1-2H3,(H,37,39)(H,38,41)

Cas#: 603-50-9        Compound CID:  2391

Formula:  C₂₂H₁₉NO₄        Molecular Weight: 361.39

IUPAC Name: [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate

SMILES: CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3

InChIKey: KHOITXIGCFIULA-UHFFFAOYSA-N

InChI: InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3