按“信号通路”分类 - 小分子和化合物库

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雷米普利
- ≥98%(HPLC)
CAS号: 87333-19-5 EC号: 642-904-3 Compound CID : 5362129

分子式: C₂₃H₃₂N₂O₅ 分子量: 416.51

IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid

SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O

InChIKey: HDACQVRGBOVJII-JBDAPHQKSA-N

InChI: 1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
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沃替西汀
- ≥98%
CAS号: 508233-74-7 EC号: 823-919-6 Compound CID : 9966051

分子式: C₁₈H₂₂N₂S 分子量: 298.45

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChI: 1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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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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卡托普利
- ≥98%
CAS号: 62571-86-2 EC号: 263-607-1

分子式: C₉H₁₅NO₃S 分子量: 217.29

IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

SMILES: CC(CS)C(=O)N1CCCC1C(=O)O

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

InChI: 1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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依那普利拉
- ≥99%
CAS号: 76420-72-9 EC号: 278-459-3

分子式: C₁₈H₂₈N₂O₇ 分子量: 384.42

IUPAC Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChIKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N

InChI: 1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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凯他色林
- ≥97%
CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2

分子式: C₂₂H₂₂FN₃O₃ 分子量: 395.43

IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N

InChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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5-羟基色胺
- ≥98%(HPLC)
CAS号: 50-67-9

分子式: C₁₀H₁₂N₂O 分子量: 176.22

IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol

SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN

InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N

InChI: 1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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群多普利
- ≥98%
CAS号: 87679-37-6 Compound CID : 5484727

分子式: C₂₄H₃₄N₂O₅ 分子量: 430.55

IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O

InChIKey: VXFJYXUZANRPDJ-WTNASJBWSA-N

InChI: 1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1
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BGC 20-761,5-HT6拮抗剂
- ≥98%(HPLC)
CAS号: 17375-63-2

分子式: C₁₉H₂₂N₂O 分子量: 294.39

IUPAC Name: 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine

SMILES: CN(C)CCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

InChIKey: VSGPGYWZVPDDSK-UHFFFAOYSA-N

InChI: 1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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AS 19,5-HT7激动剂
- ≥98%(HPLC)
CAS号: 1000578-26-6

分子式: C₁₈H₂₅N₃ 分子量: 283.41

IUPAC Name: (2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

SMILES: CC1=C(C(=NN1C)C)C2=CC=CC3=C2CCC(C3)N(C)C

InChIKey: BTTOYOKCLDAHHO-HNNXBMFYSA-N

InChI: 1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
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Perindoprilat
CAS号: 95153-31-4 Compound CID : 72022

分子式: C₁₇H₂₈N₂O₅ 分子量: 340.41

IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

SMILES: CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O

InChIKey: ODAIHABQVKJNIY-PEDHHIEDSA-N

InChI: 1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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Quinaprilat
CAS号: 82768-85-2 Compound CID : 107994

分子式: C₂₃H₂₆N₂O₅ 分子量: 410.46

IUPAC Name: (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

SMILES: CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChIKey: FLSLEGPOVLMJMN-YSSFQJQWSA-N

InChI: 1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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