按“信号通路”分类 - 小分子和化合物库

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MK-4827( 尼拉帕尼)
- ≥98%
CAS号: 1038915-60-4

分子式: C₁₉H₂₀N₄O 分子量: 320.39

IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

SMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N

InChI: 1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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奥拉帕尼 (AZD2281, Ku-0059436)
- ≥98%
CAS号: 763113-22-0 EC号: 642-941-5

分子式: C₂₄H₂₃FN₄O₃ 分子量: 434.46

IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

InChI: 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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PJ34,PARPl/2 抑制剂
- ≥98%
CAS号: 344458-19-1

分子式: C₁₇H₁₇N₃O₂ 分子量: 295.34

IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N

InChI: 1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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T0901317，LXR激动剂
- ≥98%
CAS号: 293754-55-9 Compound CID : 447912

分子式: C₁₇H₁₂F₉NO₃S 分子量: 481.33

IUPAC Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

SMILES: C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

InChIKey: SGIWFELWJPNFDH-UHFFFAOYSA-N

InChI: 1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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UPF 1069,PARP2抑制剂
- ≥98%
CAS号: 1048371-03-4 Compound CID : 25015515

分子式: C₁₇H₁₃NO₃ 分子量: 279.29

IUPAC Name: 5-phenacyloxy-2H-isoquinolin-1-one

SMILES: C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O

InChIKey: JJWMRRNGWSITSQ-UHFFFAOYSA-N

InChI: 1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
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Veliparib,PARP抑制剂
- ≥99%
CAS号: 912444-00-9 Compound CID : 11960529

分子式: C₁₃H₁₆N₄O 分子量: 244.3

IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

SMILES: CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N

InChIKey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N

InChI: 1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
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3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮
- ≥98%
CAS号: 284028-89-3 Compound CID : 135418940

分子式: C₁₄H₁₁F₃N₂OS 分子量: 312.31

IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one

SMILES: C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F

InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

InChI: 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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BMN 673
- ≥98%
CAS号: 1207456-01-6 EC号: 806-564-1, 815-271-8

分子式: C₁₉H₁₄F₂N₆O 分子量: 380.35

IUPAC Name: (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

SMILES: CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F

InChIKey: HWGQMRYQVZSGDQ-HZPDHXFCSA-N

InChI: 1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
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胆固醇
- ≥95%(HPLC)
CAS号: 57-88-5 EC号: 200-353-2

分子式: C₂₇H₄₆O 分子量: 386.65

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

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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胆固醇
- ≥99%
CAS号: 57-88-5 EC号: 200-353-2

分子式: C₂₇H₄₆O 分子量: 386.65

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

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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胆固醇
- ≥99%
CAS号: 57-88-5 EC号: 200-353-2

分子式: C₂₇H₄₆O 分子量: 386.65

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

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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胆固醇
- ≥99%(GC)
CAS号: 57-88-5 EC号: 200-353-2

分子式: C₂₇H₄₆O 分子量: 386.65

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

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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