Targets

Cas#: 122111-03-9        Compound CID:  60749

Formula:  C₉H₁₁F₂N₃O₄·HCl        Molecular Weight: 299.66

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

SMILES: Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

InChI: InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1

Cas#: 857890-39-2        Compound CID:  11237762

Formula:  C₂₁H₁₉N₄O₄Cl.CH₄O₃S        Molecular Weight: 522.96

IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide;methanesulfonic acid

SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O

InChIKey: HWLFIUUAYLEFCT-UHFFFAOYSA-N

InChI: InChI=1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4)

Cas#: 4416-57-3        Compound CID:  160753

Formula:  C₁₉H₂₆O₃        Molecular Weight: 302.41

IUPAC Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dione

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2

InChIKey: CNIXJDVUMXTEKX-DZBHQSCQSA-N

InChI: InChI=1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1

Cas#: 129830-38-2       

Formula:  C₁₄H₂₁N₃O·2HCl        Molecular Weight: 320.26

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride

SMILES: Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2

InChIKey: IDDDVXIUIXWAGJ-DDSAHXNVSA-N

InChI: InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1

Cas#: 478149-53-0        Compound CID:  9930121

Formula:  C₁₅H₁₇N₃O₂        Molecular Weight: 271.31

IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

SMILES: O=C(N[C@H]1CN2CC[C@H]1CC2)c3cc4ccoc4cn3

InChIKey: IPKZCLGGYKRDES-ZDUSSCGKSA-N

InChI: InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1

Cas#: 50-11-3        Compound CID:  4099

Formula:  C₉H₁₄N₂O₃        Molecular Weight: 198.22

IUPAC Name: 5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyrimidine-2,4-dione

SMILES: CCC1(CC)C(=NC(=O)N(C1=O)C)O

InChIKey: FWJKNZONDWOGMI-UHFFFAOYSA-N

InChI: InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

Cas#: 315694-89-4(DMSO)       

Formula:  C₁₇H₁₂N₂O₂        Molecular Weight: 276.29

SMILES: C1=CC=C(C=C1)C=CC2=NC(=CC3=CN=CC=C3)C(=O)O2

Cas#: 117089-08-4(DMSO)       

Formula:  C₁₂H₁₀NOPS        Molecular Weight: 247.25

SMILES: C1=CC=C(C=C1)P2(=S)NC3=CC=CC=C3O2

Cas#: 55659-75-1(DMSO)       

Formula:  C₄₅H₇₂O₁₇        Molecular Weight: 885.04

SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

Cas#: 1150701-66-8(DMSO)       

Formula:  C₁₈H₁₆Cl₂N₄O₂        Molecular Weight: 391.25

SMILES: CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CO

Cas#: 1428064-91-8(DMSO)       

Formula:  C₂₅H₂₆N₆O₂        Molecular Weight: 442.51

SMILES: O=C(C1=NNC2=C1C=C(C3=CC(CN4CCCCC4)=CN=C3)C=C2)NC5=CC=C(OC)N=C5

Cas#: 2729996-45-4(DMSO)       

Formula:  C₂₆H₂₂FN₅O₂        Molecular Weight: 455.48

SMILES: N#CC(C)(C)C1=CC(C(NC2=C(F)C=C(C)C(C3=CN=C4C(C=NN(C)C4=O)=C3)=C2)=O)=CC=C1