按“信号通路”分类 - 小分子和化合物库

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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮
- ≥98%
CAS号: 79183-19-0

分子式: C₁₅H₉Cl₂NO₂ 分子量: 306.14

IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione

SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl

InChIKey: KGRJPLRFGLMQMV-UHFFFAOYSA-N

InChI: 1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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羽扇豆醇
- ≥95%
CAS号: 545-47-1 EC号: 208-889-9

分子式: C₃₀H₅₀O 分子量: 426.72

IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

InChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-N

InChI: 1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
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齐墩果酸
- ≥97%
CAS号: 508-02-1 EC号: 208-081-6

分子式: C₃₀H₄₈O₃ 分子量: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: 1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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齐墩果酸
- ≥98%
CAS号: 508-02-1 EC号: 208-081-6

分子式: C₃₀H₄₈O₃ 分子量: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: 1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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OSI-930,Kit (c-Kit)， KDR和CSF-1R抑制剂
- ≥98%
CAS号: 728033-96-3

分子式: C₂₂H₁₆F₃N₃O₂S 分子量: 443.45

IUPAC Name: 3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

SMILES: C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChIKey: FGTCROZDHDSNIO-UHFFFAOYSA-N

InChI: 1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
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PLX-4720,B-Raf抑制剂
- ≥99%
CAS号: 918505-84-7

分子式: C₁₇H₁₄ClF₂N₃O₃S 分子量: 413.83

IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F

InChIKey: YZDJQTHVDDOVHR-UHFFFAOYSA-N

InChI: 1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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RAF265 (CHIR-265),Raf激酶和VEGFR-2抑制剂
- ≥98%
CAS号: 927880-90-8 Compound CID : 11656518

分子式: C₂₄H₁₆F₆N₆O 分子量: 518.43

IUPAC Name: 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

SMILES: CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F

InChIKey: YABJJWZLRMPFSI-UHFFFAOYSA-N

InChI: 1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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瑞格非尼
- ≥99%
CAS号: 755037-03-7 Compound CID : 11167602

分子式: C₂₁H₁₅ClF₄N₄O₃ 分子量: 482.82

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N

InChI: 1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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索拉非尼
- ≥99%
CAS号: 284461-73-0

分子式: C₂₁H₁₆ClF₃N₄O₃ 分子量: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: 1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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SB590885,B-Raf激酶抑制剂
- ≥98%
CAS号: 405554-55-4 Compound CID : 135421339

分子式: C₂₇H₂₇N₅O₂ 分子量: 453.54

IUPAC Name: (NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

SMILES: CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5

InChIKey: MLSAQOINCGAULQ-QFMPWRQOSA-N

InChI: 1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+
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四氯苯醌（TCBQ）
- ≥98%
CAS号: 118-75-2 EC号: 204-274-4 Compound CID : 8371

分子式: C₆Cl₄O₂ 分子量: 245.88

IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

InChIKey: UGNWTBMOAKPKBL-UHFFFAOYSA-N

InChI: 1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
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四氯对醌
CAS号: 118-75-2 EC号: 204-274-4 Compound CID : 8371

分子式: C₆Cl₄O₂ 分子量: 245.88

IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

InChIKey: UGNWTBMOAKPKBL-UHFFFAOYSA-N

InChI: 1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
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