按“信号通路”分类 - 小分子和化合物库

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N-去甲基氯氮平
- ≥98%
CAS号: 6104-71-8

分子式: C₁₇H₁₇ClN₄ 分子量: 312.8

IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N

InChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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奥昔布宁
- ≥98%
CAS号: 5633-20-5

分子式: C₂₂H₃₁NO₃ 分子量: 357.49

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

InChI: 1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
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西咪匹韦
- ≥98%
CAS号: 923604-59-5 Compound CID : 24873435

分子式: C₃₈H₄₇N₅O₇S₂ 分子量: 749.96

IUPAC Name: (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

SMILES: CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

InChIKey: JTZZSQYMACOLNN-VDWJNHBNSA-N

InChI: 1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,See more
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托吡卡胺
- ≥99%
CAS号: 1508-75-4 EC号: 216-140-2 Compound CID : 5593

分子式: C₁₇H₂₀N₂O₂ 分子量: 284.35

IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-N

InChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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特拉匹韦
- ≥98%
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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长春胺
- ≥98%
CAS号: 1617-90-9 EC号: 216-576-3 Compound CID : 15376

分子式: C₂₁H₂₆N₂O₃ 分子量: 354.44

IUPAC Name: methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate

SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O

InChIKey: RXPRRQLKFXBCSJ-GIVPXCGWSA-N

InChI: 1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
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阿托品
- ≥99%
CAS号: 51-55-8 EC号: 200-104-8

分子式: C₁₇H₂₃NO₃ 分子量: 289.37

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate

SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

InChI: 1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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三己芬迪盐酸盐
- ≥98%
CAS号: 52-49-3

分子式: C₂₀H₃₂ClNO 分子量: 337.927

IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride

SMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl

InChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-N

InChI: 1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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组织蛋白酶抑制剂1
- ≥99%
CAS号: 225120-65-0 Compound CID : 44224135

分子式: C₂₀H₂₄ClN₅O₂ 分子量: 401.89

IUPAC Name: 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C

InChIKey: MZRVIHRERYCHBL-HNNXBMFYSA-N

InChI: 1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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钙离子载体 A23187
- ≥97%
CAS号: 52665-69-7

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: 1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-See more
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