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佛波醇 12,13-二丁酸酯CAS号 : 37558-16-0 Compound CID : 37783分子式: C28H40O8 分子量: 504.61IUPAC Name: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoateSMILES: CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)CInChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-NInChI: InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
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Darovasertib (LXS-196)CAS号 : 1874276-76-2(DMSO)分子式: C22H23F3N8O 分子量: 472.47SMILES: CC1(N)CCN(CC1)C2=CC=CN=C2NC(=O)C3=NC(=CN=C3N)C4=NC=CC=C4C(F)(F)F
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GSK690693CAS号 : 937174-76-0(DMSO)分子式: C21H27N7O3 分子量: 425.48SMILES: CC[N]1C(=NC2=C1C(=CN=C2C#CC(C)(C)O)OCC3CCCNC3)C4=NON=C4N
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PF-562271CAS号 : 717907-75-0(DMSO)分子式: C21H20F3N7O3S 分子量: 507.49SMILES: CN(C1=C(CNC2=C(C=NC(=N2)NC3=CC=C4NC(=O)CC4=C3)C(F)(F)F)C=CC=N1)[S](C)(=O)=O
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Pexidartinib (PLX3397)CAS号 : 1029044-16-3(DMSO)分子式: C20H15ClF3N5 分子量: 417.81SMILES: FC(F)(F)C1=NC=C(CNC2=NC=C(CC3=C[NH]C4=NC=C(Cl)C=C34)C=C2)C=C1
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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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VTX-27CAS号 : 1321924-70-2 Compound CID : 53354074分子式: C2OH24ClFN6O 分子量: 418.9IUPAC Name: (2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]-3-methylbutan-2-olSMILES: CC(C)C(C)(C1CN(CCN1)C2=C(C=C(C(=N2)C3=C4C=CC=NC4=NN3)F)Cl)OInChIKey: HXWARSZQGAFXJM-MGPUTAFESA-NInChI: InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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PKC-θ抑制剂CAS号 : 736048-65-0 Compound CID : 10253430分子式: C2OH25F3N6O3 分子量: 454.45IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamineSMILES: C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3OC(F)(F)FInChIKey: HKOWATVSFKRXRW-UHFFFAOYSA-NInChI: InChI=1S/C20H25F3N6O3/c21-20(22,23)32-17-4-2-1-3-15(17)11-26-19-27-12-16(29(30)31)18(28-19)25-10-14-7-5-13(9-24)6-8-14/h1-4,12-14H,5-11,24H2,(H2,25,26,27,28)
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A-674563CAS号 : 552325-73-2 Compound CID : 11314340分子式: C22H22N4O 分子量: 358.44IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amineSMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)NInChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-NInChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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PKC-θ抑制剂CAS号 : 736048-65-0 Compound CID : 10253430分子式: C2OH25F3N6O3 分子量: 454.45IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamineSMILES: C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3OC(F)(F)FInChIKey: HKOWATVSFKRXRW-UHFFFAOYSA-NInChI: InChI=1S/C20H25F3N6O3/c21-20(22,23)32-17-4-2-1-3-15(17)11-26-19-27-12-16(29(30)31)18(28-19)25-10-14-7-5-13(9-24)6-8-14/h1-4,12-14H,5-11,24H2,(H2,25,26,27,28)
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A-674563CAS号 : 552325-73-2 Compound CID : 11314340分子式: C22H22N4O 分子量: 358.44IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amineSMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)NInChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-NInChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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PF-562271,可逆FAK抑制剂CAS号 : 717907-75-0 Compound CID : 11713159分子式: C21H20F3N7O3S 分子量: 507.49IUPAC Name: N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamideSMILES: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)CInChIKey: MZDKLVOWGIOKTN-UHFFFAOYSA-NInChI: InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
