按“信号通路”分类 - 小分子和化合物库

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硝苯地平
- ≥98%(HPLC)
CAS号: 21829-25-4 EC号: 244-598-3

分子式: C₁₇H₁₈N₂O₆ 分子量: 346.33

IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N

InChI: 1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号: 870653-45-5 EC号: 635-565-8

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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奎尼丁
- ≥98%
- contains 5-15% Dihydroquinidine
CAS号: 56-54-2 EC号: 200-279-0

分子式: C₂₀H₂₄N₂O₂ 分子量: 324.42

IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N

InChI: 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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舍吲哚
- ≥95%
CAS号: 106516-24-9 Compound CID : 60149

分子式: C₂₄H₂₆ClFN₄O 分子量: 440.9

IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

SMILES: C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O

InChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-N

InChI: 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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决奈达隆盐酸盐
- ≥98%(HPLC)
CAS号: 141625-93-6

分子式: C₃₁H₄₄N₂O₅S·HCl 分子量: 593.22

IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride

SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl

InChIKey: DWKVCQXJYURSIQ-UHFFFAOYSA-N

InChI: 1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
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决奈达隆
- ≥98%
CAS号: 141626-36-0 EC号: 604-240-2

分子式: C₃₁H₄₄N₂O₅S 分子量: 556.77

IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide

SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

InChIKey: ZQTNQVWKHCQYLQ-UHFFFAOYSA-N

InChI: 1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
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4-氨基吡啶
- ≥98%
CAS号: 504-24-5 EC号: 207-987-9

分子式: C₅H₆N₂ 分子量: 94.11

IUPAC Name: pyridin-4-amine

SMILES: C1=CN=CC=C1N

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

InChI: 1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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布比卡因
- ≥97%
CAS号: 38396-39-3

分子式: C₁₈H₂₈N₂O 分子量: 288.43

IUPAC Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

SMILES: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C

InChIKey: LEBVLXFERQHONN-UHFFFAOYSA-N

InChI: 1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
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金合欢素
- ≥98%
CAS号: 480-44-4

分子式: C₁₆H₁₂O₅ 分子量: 284.27

IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

InChIKey: DANYIYRPLHHOCZ-UHFFFAOYSA-N

InChI: 1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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DPO-1,KV1.5和IKurcurrent的通道阻滞剂
- ≥98%
CAS号: 43077-30-1

分子式: C₂₂H₂₉OP 分子量: 340.44

IUPAC Name: [[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene

SMILES: CC1CCC(C(C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

InChIKey: BPCNGVCAHAIZEE-COPCDDAFSA-N

InChI: 1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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A 1899,K2P3.1（TASK-1）和K2P9.1（TASK-3）阻滞剂
- ≥98%(HPLC)
CAS号: 498577-46-1

分子式: C₃₀H₂₆F₂N₂O₃ 分子量: 500.55

IUPAC Name: N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide

SMILES: COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=C(C=C(C=C4)F)F

InChIKey: IXKPEYHRIVQTCU-UHFFFAOYSA-N

InChI: 1S/C30H26F2N2O3/c1-37-24-14-10-20(11-15-24)16-29(35)33-18-21-6-2-3-7-25(21)26-8-4-5-9-27(26)30(36)34-19-22-12-13-23(31)17-28(22)32/h2-15,17H,16,18-19H2,1H3,(H,33,35)(H,34,36)
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地尔硫卓
- ≥97%
CAS号: 42399-41-7

分子式: C₂₂H₂₆N₂O₄S 分子量: 414.52

IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChIKey: HSUGRBWQSSZJOP-RTWAWAEBSA-N

InChI: 1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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