按“信号通路”分类 - 小分子和化合物库

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奥替那班
- ≥98%
CAS号: 686344-29-6

分子式: C₂₅H₂₅Cl₂N₇O 分子量: 510.42

IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide

SMILES: CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N

InChIKey: UNAZAADNBYXMIV-UHFFFAOYSA-N

InChI: 1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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Org 27569,CB 1受体变构调节剂
- ≥98%
CAS号: 868273-06-7 EC号: 278-169-7

分子式: C₂₄H₂₈ClN₃O 分子量: 409.95

IUPAC Name: 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

SMILES: CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

InChIKey: AHFZDNYNXFMRFQ-UHFFFAOYSA-N

InChI: 1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
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利莫那班
- ≥98%
CAS号: 168273-06-1 Compound CID : 104850

分子式: C₂₂H₂₁Cl₃N₄O 分子量: 463.79

IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

SMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

InChI: 1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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星形孢菌素
- ≥98%
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Taranabant,激动剂
- ≥98%
CAS号: 701977-09-5 Compound CID : 11226090

分子式: C₂₇H₂₅ClF₃N₃O₂ 分子量: 515.97

IUPAC Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide

SMILES: CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

InChIKey: QLYKJCMUNUWAGO-GAJHUEQPSA-N

InChI: 1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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Dorsomorphin
- ≥98%
CAS号: 866405-64-3

分子式: C₂₄H₂₅N₅O 分子量: 399.49

IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3

InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N

InChI: 1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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GSK429286A,ROCK1和ROCK2抑制剂
- ≥98%
CAS号: 864082-47-3

分子式: C₂₁H₁₆F₄N₄O₂ 分子量: 432.37

IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide

SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F

InChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-N

InChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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和厚朴酚
CAS号: 35354-74-6

分子式: C₁₈H₁₈O₂ 分子量: 266.33

IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

InChI: 1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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和厚朴酚
- ≥98%(HPLC)
CAS号: 35354-74-6

分子式: C₁₈H₁₈O₂ 分子量: 266.33

IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

InChI: 1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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AM251,CB 1受体拮抗剂/反向激动剂
- ≥98%
CAS号: 183232-66-8

分子式: C₂₂H₂₁Cl₂IN₄O 分子量: 555.24

IUPAC Name: 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

SMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I

InChIKey: BUZAJRPLUGXRAB-UHFFFAOYSA-N

InChI: 1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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花生四烯酰乙醇胺（AEA）
- ≥98%
CAS号: 94421-68-8

分子式: C₂₂H₃₇NO₂ 分子量: 347.543

IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO

InChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-N

InChI: 1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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ACPA（花生四烯酸环丙基酰胺）
- ≥98%
CAS号: 229021-64-1

分子式: C₂₃H₃₇NO 分子量: 343.55

IUPAC Name: (5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamide

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1

InChIKey: GLGAUBPACOBAMV-DOFZRALJSA-N

InChI: 1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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