按“信号通路”分类 - 小分子和化合物库

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AZ 3146,强力Mps1激酶抑制剂
- ≥98%
CAS号: 1124329-14-1

分子式: C₂₄H₃₂N₆O₃ 分子量: 452.55

IUPAC Name: 9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one

SMILES: CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)OC

InChIKey: YUKWVHPTFRQHMF-UHFFFAOYSA-N

InChI: 1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
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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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逆转素
- ≥97%(HPLC)
CAS号: 656820-32-5 Compound CID : 210332

分子式: C₂₁H₂₇N₇O 分子量: 393.49

IUPAC Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

SMILES: C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

InChIKey: ZFLJHSQHILSNCM-UHFFFAOYSA-N

InChI: 1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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Ro3280,PLK1抑制剂
- ≥99%
CAS号: 1062243-51-9 Compound CID : 25015677

分子式: C₂₇H₃₅F₂N₇O₃ 分子量: 543.61

IUPAC Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey: DJNZZLZKAXGMMC-UHFFFAOYSA-N

InChI: 1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
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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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熊果酸
- ≥98.5%
CAS号: 77-52-1 EC号: 201-034-0

分子式: C₃₀H₄₈O₃ 分子量: 456.70

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

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI: 1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+See more
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熊果酸
- ≥93%
CAS号: 77-52-1 EC号: 201-034-0

分子式: C₃₀H₄₈O₃ 分子量: 456.70

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

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI: 1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+See more
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熊果酸
- ≥98%
CAS号: 77-52-1 EC号: 201-034-0

分子式: C₃₀H₄₈O₃ 分子量: 456.70

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

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI: 1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+See more
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