Ligand-gated ion channels

Cas#: 21019-30-7        Compound CID:  5288811

Formula:  C37H50N2O10.C6H8O7        Molecular Weight: 874.92

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C

InChIKey: XLTANAWLDBYGFU-VTLKBQQISA-N

InChI: InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1

Cas#: 65-29-2        Compound CID:  6172

Formula:  C₃₀H₆₀I₃N₃O₃        Molecular Weight: 891.53

IUPAC Name: 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;triiodide

SMILES: CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]

InChIKey: REEUVFCVXKWOFE-UHFFFAOYSA-K

InChI: InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3

Cas#: 313674-97-4        Compound CID:  9864959

Formula:  C₂₁H₁₇Cl₂NO₂        Molecular Weight: 386.27

IUPAC Name: 2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid

SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl

InChIKey: ZCQOSCDABPVAFB-UHFFFAOYSA-N

InChI: InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)

Cas#: 15585-43-0        Compound CID:  5310967

Formula:  C₁₀H₁₄N₂        Molecular Weight: 162.23

IUPAC Name: (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

SMILES: CNCCC=CC1=CN=CC=C1

InChIKey: JUOSGGQXEBBCJB-GORDUTHDSA-N

InChI: InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+

Cas#: 913830-15-6        Compound CID:  11998180

Formula:  C₁₄H₈N₄O        Molecular Weight: 248.24

IUPAC Name: 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile

SMILES: C1=CC(=CC(=C1)C2=NC(=NO2)C3=CN=CC=C3)C#N

InChIKey: HGFXDSQLRSWUBO-UHFFFAOYSA-N

InChI: InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H

Cas#: 501925-31-1        Compound CID:  311434

Formula:  C₁₃H₁₄ClN₃O₄        Molecular Weight: 311.72

IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

SMILES: CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChIKey: CEIIEALEIHQDBX-UHFFFAOYSA-N

InChI: InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)

Cas#: 501684-93-1        Compound CID:  310378

Formula:  C₁₄H₉Cl₂F₃N₂O₂        Molecular Weight: 365.13

IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea

SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)Cl)O)Cl

InChIKey: OUDXRNQPVSMGDW-UHFFFAOYSA-N

InChI: InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)

Cas#: 249296-44-4        Compound CID:  170361

Formula:  C₁₃H₁₃N₃        Molecular Weight: 211.26

IUPAC Name: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

SMILES: C1C2CNCC1C3=CC4=NC=CN=C4C=C23

InChIKey: JQSHBVHOMNKWFT-UHFFFAOYSA-N

InChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2

Cas#: 15500-66-0        Compound CID:  27350

Formula:  C₃₅H₆₀Br₂N₂O₄        Molecular Weight: 732.67

IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide

SMILES: CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

InChIKey: NPIJXCQZLFKBMV-YTGGZNJNSA-L

InChI: InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

Cas#: 88903-69-9        Compound CID:  5311502

Formula:  C₂₈H₅₀N₂O₂        Molecular Weight: 446.72

IUPAC Name: (1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane

SMILES: C1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1

InChIKey: PQYOPBRFUUEHRC-MUJQFDPKSA-N

InChI: InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1

Cas#: 711085-63-1        Compound CID:  9795278

Formula:  C₁₄H₁₇ClN₂O        Molecular Weight: 264.75

IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide

SMILES: C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl

InChIKey: WECKJONDRAUFDD-ZDUSSCGKSA-N

InChI: InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1

Cas#: 1000279-69-5        Compound CID:  23642319

Formula:  C₂₀H₁₉ClN₂O₃S        Molecular Weight: 402.89

IUPAC Name: 4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide

SMILES: CCC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)C

InChIKey: ABACVOXFUHDKNZ-UHFFFAOYSA-N

InChI: InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)