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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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乙胺嘧啶分子式: C12H13ClN4 分子量: 248.71IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamineSMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)ClInChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-NInChI: 1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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普拉曲沙CAS号: 146464-95-1分子式: C23H23N7O5 分子量: 477.47IUPAC Name: (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acidSMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-NInChI: See more
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培美曲塞CAS号: 137281-23-3 EC号: 680-625-9分子式: C20H21N5O6 分子量: 427.41IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: WBXPDJSOTKVWSJ-ZDUSSCGKSA-NInChI: 1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/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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R547,cdk抑制剂CAS号: 741713-40-6 Compound CID : 6918852分子式: C18H21F2N5O4S 分子量: 441.45IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanoneSMILES: COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)CInChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-NInChI: 1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
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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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特立氟胺CAS号: 163451-81-8 Compound CID : 54684141分子式: C12H9F3N2O2 分子量: 270.21IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamideSMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)OInChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-NInChI: 1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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甲氧苄氨嘧啶分子式: C14H18N4O3 分子量: 290.32IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NInChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-NInChI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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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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敌菌净分子式: C13H16N4O2 分子量: 260.29IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCInChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-NInChI: 1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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敌菌净分子式: C13H16N4O2 分子量: 260.29IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCInChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-NInChI: 1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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