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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Autophinib,VPS34抑制剂CAS号 : 1644443-47-9 Compound CID : 129626605分子式: C14H11ClN6O3 分子量: 346.73IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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KU 60019CAS号 : 925701-46-8 Compound CID : 15953870分子式: C30H33N3O5S 分子量: 547.67IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamideSMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-NInChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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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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Momelotinib (CYT387)CAS号 : 1056634-68-4(DMSO)分子式: C23H22N6O2 分子量: 414.46SMILES: O=C(NCC#N)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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KU-60019CAS号 : 925701-49-1(DMSO)分子式: C30H33N3O5S 分子量: 547.67SMILES: CC1CN(CC(C)O1)CC(=O)NC2=CC3=C(SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6)C=C2
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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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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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Torin 2CAS号 : 1223001-51-1(DMSO)分子式: C24H15F3N4O 分子量: 432.4SMILES: NC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)C=C4)C5=CC=CC(=C5)C(F)(F)F)C3=C2
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萨拉卡蒂尼(AZD0530)CAS号 : 379231-04-6(DMSO)分子式: C27H32ClN5O5 分子量: 542.03SMILES: CN1CCN(CCOC2=CC(=C3C(=NC=NC3=C2)NC4=C(Cl)C=CC5=C4OCO5)OC6CCOCC6)CC1
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