按“信号通路”分类 - 小分子和化合物库

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石胆酸
- ≥95%
CAS号: 434-13-9 EC号: 207-099-1

分子式: C₂₄H₄₀O₃ 分子量: 376.57

IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N

InChI: 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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S-甲基异硫脲硫酸盐
- ≥98%
CAS号: 867-44-7 EC号: 212-759-7

分子式: C₄H₁₂N₄S₂·H₂SO₄ 分子量: 278.36

IUPAC Name: methyl carbamimidothioate;sulfuric acid

SMILES: CSC(=N)N.CSC(=N)N.OS(=O)(=O)O

InChIKey: BZZXQZOBAUXLHZ-UHFFFAOYSA-N

InChI: 1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
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甲氧氯普胺
- ≥98%
CAS号: 364-62-5 EC号: 206-662-9

分子式: C₁₄H₂₂ClN₃O₂ 分子量: 299.8

IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl

InChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-N

InChI: 1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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喹夫拉朋
- ≥98%
CAS号: 136668-42-3

分子式: C₃₄H₃₅ClN₂O₃S 分子量: 587.17

IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N

InChI: 1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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马沙骨化醇
- ≥97%
CAS号: 103909-75-7 Compound CID : 6398761

分子式: C₂₆H₄₂O₄ 分子量: 418.62

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

SMILES: CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O

InChIKey: DTXXSJZBSTYZKE-ZDQKKZTESA-N

InChI: 1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
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米尔塔扎平
- ≥98%
CAS号: 85650-52-8

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2-[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基甲基硫]苯并咪唑
- ≥98%
CAS号: 103577-40-8

分子式: C₁₆H₁₄F₃N₃OS 分子量: 353.36

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

SMILES: CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChIKey: CCHLMSUZHFPSFC-UHFFFAOYSA-N

InChI: 1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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纳曲酮
- ≥98%
CAS号: 16590-41-3

分子式: C₂₀H₂₃NO₄ 分子量: 341.4

IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O

InChIKey: DQCKKXVULJGBQN-XFWGSAIBSA-N

InChI: 1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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NPS-2143,钙敏感受体 (CaSR) 拮抗剂
- ≥98%
CAS号: 284035-33-2

分子式: C₂₄H₂₅ClN₂O₂ 分子量: 408.93

IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile

SMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

InChI: 1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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帕立骨化醇
- ≥99%
CAS号: 131918-61-1 Compound CID : 5281104

分子式: C₂₇H₄₄O₃ 分子量: 416.64

IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

SMILES: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

InChI: 1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
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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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硫酸奎尼丁
- ≥98%
CAS号: 6591-63-5 EC号: 200-046-3 Compound CID : 656862

分子式: C₄₀H₄₈N₄O₄.H₂SO₄.2H₂O 分子量: 782.94

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

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

InChIKey: ZHNFLHYOFXQIOW-AHSOWCEXSA-N

InChI: 1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;See more
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