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A-674563CAS号: 552325-73-2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: 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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PHA-767491,双重Cdc7和Cdk9激酶抑制剂CAS号: 845714-00-3分子式: C12H11N3O 分子量: 213.24IUPAC Name: 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-oneSMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3InChIKey: DKXHSOUZPMHNIZ-UHFFFAOYSA-NInChI: 1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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星形孢菌素CAS号: 62996-74-1 Compound CID : 44259分子式: C28H26N4O3 分子量: 466.53IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-oneSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OCInChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-NInChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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CX-4945 (Silmitasertib),CK2抑制剂CAS号: 1009820-21-6分子式: C19H12ClN3O2 分子量: 349.77IUPAC Name: 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acidSMILES: C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4InChIKey: MUOKSQABCJCOPU-UHFFFAOYSA-NInChI: 1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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DorsomorphinCAS号: 866405-64-3分子式: C24H25N5O 分子量: 399.49IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidineSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-NInChI: 1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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GSK429286A,ROCK1和ROCK2抑制剂CAS号: 864082-47-3分子式: C21H16F4N4O2 分子量: 432.37IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamideSMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)FInChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-NInChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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来他替尼CAS号: 111358-88-4分子式: C26H21N3O4 分子量: 439.46IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-oneSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OInChIKey: UIARLYUEJFELEN-LROUJFHJSA-NInChI: 1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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GSK429286A（DMSO溶液）CAS号: 864082-47-3分子式: C21H16F4N4O2 分子量: 432.37IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamideSMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)FInChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-NInChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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LJI308,RSK抑制剂CAS号: 1627709-94-7分子式: C21H18F2N2O2 分子量: 368.38IUPAC Name: 2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenolSMILES: C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)FInChIKey: YUYJEQHNWKQNBT-UHFFFAOYSA-NInChI: 1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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3-(2-甲基-4-嘧啶基)-1-(苯基甲基)-1H-吡咯并[2,3-c]吡啶(AZ Dyrk1B 33)CAS号: 1679330-37-0分子式: C19H16N4 分子量: 300.36IUPAC Name: 1-benzyl-3-(2-methylpyrimidin-4-yl)pyrrolo[2,3-c]pyridineSMILES: CC1=NC=CC(=N1)C2=CN(C3=C2C=CN=C3)CC4=CC=CC=C4InChIKey: CZCUSHJQJWKYTD-UHFFFAOYSA-NInChI: 1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3
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