激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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CFMMC
Compound CID : 73755208

IUPAC Name: 3-cyclohexyl-5-fluoro-6-methyl-7-[2-(morpholin-4-yl)ethoxy]-4H-chromen-4-one

SMILES: Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1

InChIKey: PHQKNLJAPYWXQQ-UHFFFAOYSA-N

InChI: InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3
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CFMTI
Compound CID : 11175501

IUPAC Name: 2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one

SMILES: O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1

InChIKey: XZBFQWRAIYRPPZ-UHFFFAOYSA-N

InChI: InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
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DM-PPP
Compound CID : 44431042

IUPAC Name: O4-(3,3-dimethylbutan-2-yl) O2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

SMILES: CCCOC(=O)c1[nH]c(c(c1C)C(=O)O[C@H](C(C)(C)C)C)C

InChIKey: DOYZAIRDDZPMQZ-LBPRGKRZSA-N

InChI: InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1
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FTIDC
Compound CID : 11245287

IUPAC Name: 4-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

SMILES: CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C

InChIKey: CJTLKLBSIFQKNT-UHFFFAOYSA-N

InChI: InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide
Compound CID : 9923127

IUPAC Name: N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide

SMILES: CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2

InChIKey: HVTLYEBQNBWUIT-UHFFFAOYSA-N

InChI: InChI=1S/C17H15N5O2/c1-2-22-20-17(19-21-22)18-16(23)15-11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,18,20,23)
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N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide
Compound CID : 44573698

IUPAC Name: N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide

SMILES: O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C

InChIKey: KXBNLKGEYKHKAO-UHFFFAOYSA-N

InChI: InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)
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Ro0711401
CAS号 : 714971-87-6 Compound CID : 10338547

分子式: C₁₈H₁₁F₃N₂O₃ 分子量: 360.3

IUPAC Name: N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide

SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC(=CO4)C(F)(F)F

InChIKey: GSGDLBUOSWGZER-UHFFFAOYSA-N

InChI: InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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Ro01-6128
Compound CID : 9903898

IUPAC Name: ethyl N-[2,2-di(phenyl)acetyl]carbamate

SMILES: CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1

InChIKey: ILSZPWZFQHSKLW-UHFFFAOYSA-N

InChI: InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)
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Ro67-7476
Compound CID : 17950211

IUPAC Name: 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1ccc(cc1)F

InChIKey: DAEHFYNGSSBGSS-UHFFFAOYSA-N

InChI: InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3
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Ro67-4853
Compound CID : 9949202

IUPAC Name: butyl N-(9H-xanthene-9-carbonyl)carbamate

SMILES: CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2

InChIKey: RQBUXEUMZZQUFY-UHFFFAOYSA-N

InChI: InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
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VU0483605
CAS号 : 1623101-11-0 Compound CID : 91885483

IUPAC Name: 3-chloro-N-[3-chloro-4-(4-chloro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

SMILES: C1=CC2=C(C(=C1)Cl)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl

InChIKey: HJQXPBKPTGWZCF-UHFFFAOYSA-N

InChI: InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)
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[³H]quisqualate
Compound CID : 40539

IUPAC Name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

SMILES: OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N

InChIKey: ASNFTDCKZKHJSW-REOHCLBHSA-N

InChI: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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