小分子和化合物库
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LDN-193189,BMP I 型受体抑制剂CAS号 : 1062368-24-4 Compound CID : 25195294分子式: C25H22N6 分子量: 479.4IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolineSMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3InChIKey: CDOVNWNANFFLFJ-UHFFFAOYSA-NInChI: InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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DMH-1,BMP-1受体抑制剂CAS号 : 1206711-16-1 Compound CID : 50997747分子式: C24H20N4O 分子量: 380.44IUPAC Name: 4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolineSMILES: CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2InChIKey: JMIFGARJSWXZSH-UHFFFAOYSA-NInChI: InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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LDN 212854,I型强骨形态发生蛋白(ALK)抑制剂CAS号 : 1432597-26-6 Compound CID : 60182388分子式: C25H22N6 分子量: 406.48IUPAC Name: 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolineSMILES: C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3InChIKey: BBDGBGOVJPEFBT-UHFFFAOYSA-NInChI: InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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Wee1抑制剂CAS号 : 622855-37-2 Compound CID : 10384072分子式: C20H11ClN2O3 分子量: 362.77IUPAC Name: 4-(2-chlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dioneSMILES: C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C2C(=O)NC5=O)ClInChIKey: DPEXRCOBPACFOO-UHFFFAOYSA-NInChI: InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Dovitinib (TKI-258)CAS号 : 405169-16-6(DMSO)分子式: C21H21FN6O 分子量: 392.43SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C([NH]3)C4=C(N)C5=C(NC4=O)C=CC=C5F
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KW-2449CAS号 : 1000669-72-6(DMSO)分子式: C20H20N4O 分子量: 332.4SMILES: O=C(N1CCNCC1)C2=CC=C(C=C2)/C=C/C3=N[NH]C4=C3C=CC=C4
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Galunisertib (LY2157299)CAS号 : 700874-72-2(DMSO)分子式: C22H19N5O 分子量: 369.42SMILES: CC1=CC=CC(=N1)C2=N[N]3CCCC3=C2C4=CC=NC5=C4C=C(C=C5)C(N)=O
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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
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Sotrastaurin (AEB071)CAS号 : 425637-18-9(DMSO)分子式: C25H22N6O2 分子量: 438.48SMILES: CN1CCN(CC1)C2=NC(=C3C=CC=CC3=N2)C4=C(C(=O)NC4=O)C5=C[NH]C6=C5C=CC=C6
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苏尼替尼CAS号 : 557795-19-4(DMSO)分子式: C22H27FN4O2 分子量: 398.47SMILES: CCN(CC)CCNC(=O)C1=C(C)[NH]C(=C1C)/C=C/2C(=O)NC3=C2C=C(F)C=C3
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