Ras
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(Rac)-Antineoplaston A10CAS号: 77658-84-5分子式: C13H14N2O3 分子量: 246.26IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-2-phenylacetamideSMILES: C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2InChIKey: OQGRFQCUGLKSAV-UHFFFAOYSA-NInChI: 1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)
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HJC0197CAS号: 1383539-73-8分子式: C19H21N3OS 分子量: 339.45IUPAC Name: 4-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrileSMILES: CC1=CC(=C(C=C1)C)CSC2=NC(=C(C(=O)N2)C#N)C3CCCC3InChIKey: QLLWRTHDHRGHQZ-UHFFFAOYSA-NInChI: 1S/C19H21N3OS/c1-12-7-8-13(2)15(9-12)11-24-19-21-17(14-5-3-4-6-14)16(10-20)18(23)22-19/h7-9,14H,3-6,11H2,1-2H3,(H,21,22,23)
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MLS000532223CAS号: 16616-39-0分子式: C15H9NO3 分子量: 251.24IUPAC Name: 1-(3-nitrophenyl)-3-phenylprop-2-yn-1-oneSMILES: C1=CC=C(C=C1)C#CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]InChIKey: JODIUOIVYGKAJH-UHFFFAOYSA-NInChI: 1S/C15H9NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H
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0375-0604(KRAS抑制剂-9)CAS号: 300809-71-6分子式: C13H9ClN2S2 分子量: 292.81IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloroanilineSMILES: C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)N)ClInChIKey: DTSNLMOLTVGCGZ-UHFFFAOYSA-NInChI: 1S/C13H9ClN2S2/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2
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AZA1CAS号: 1071098-42-4分子式: C22H20N6 分子量: 368.4IUPAC Name: 2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamineSMILES: CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)CInChIKey: SYWHWWKOIJCMKF-UHFFFAOYSA-NInChI: 1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28)
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RBC10CAS号: 362503-73-9 Compound CID : 22330351分子式: C24H25ClN2O2 分子量: 408.9IUPAC Name: 6-(2-chlorophenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-oneSMILES: CCCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CC=C4ClInChIKey: XERBEDAMDXRGFD-UHFFFAOYSA-NInChI: 1S/C24H25ClN2O2/c1-2-3-15-22(29)27-20-13-7-6-11-18(20)26-19-12-8-14-21(28)23(19)24(27)16-9-4-5-10-17(16)25/h4-7,9-11,13,24,26H,2-3,8,12,14-15H2,1H3
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APS6-45CAS号: 2188236-41-9分子式: C23H16F8N4O3 分子量: 548.39IUPAC Name: 4-[4-[[2-fluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamideSMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(C(F)(F)F)(C(F)(F)F)F)FInChIKey: MVUPJRHPAMCBQJ-UHFFFAOYSA-NInChI: 1S/C23H16F8N4O3/c1-32-19(36)18-11-15(8-9-33-18)38-14-5-3-13(4-6-14)34-20(37)35-17-10-12(2-7-16(17)24)21(25,22(26,27)28)23(29,30)31/h2-11H,1H3,(H,32,36)(H2,34,35,37)
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MLS-573151CAS号: 10179-57-4分子式: C21H19N3O2S 分子量: 377.46IUPAC Name: 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamideSMILES: C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4InChIKey: OPPCVEVPKHRJNY-UHFFFAOYSA-NInChI: 1S/C21H19N3O2S/c22-27(25,26)19-13-11-18(12-14-19)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H2,22,25,26)
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CID44216842CAS号: 1222513-26-9分子式: C22H20BrN3O3S 分子量: 486.38IUPAC Name: 4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamideSMILES: COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)S(=O)(=O)NInChIKey: LPUYDLXQQMWRLR-UHFFFAOYSA-NInChI: 1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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CCG-222740CAS号: 1922098-69-8分子式: C23H19ClF2N2O3 分子量: 444.86IUPAC Name: N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamideSMILES: C1C(CN(CC1(F)F)C(=O)C2=CC=CC(=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)ClInChIKey: PMTPYUTZAJWGPE-UHFFFAOYSA-NInChI: 1S/C23H19ClF2N2O3/c24-18-6-8-19(9-7-18)27-21(29)17-12-23(25,26)14-28(13-17)22(30)16-4-1-3-15(11-16)20-5-2-10-31-20/h1-11,17H,12-14H2,(H,27,29)
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Y16CAS号: 429653-73-6 Compound CID : 989521分子式: C24H20N2O3 分子量: 384.43IUPAC Name: (4E)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dioneSMILES: CC1=CC(=CC=C1)COC2=CC=CC(=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4InChIKey: ITMLWGWTDWJSRZ-PXLXIMEGSA-NInChI: 1S/C24H20N2O3/c1-17-7-5-9-19(13-17)16-29-21-12-6-8-18(14-21)15-22-23(27)25-26(24(22)28)20-10-3-2-4-11-20/h2-15H,16H2,1H3,(H,25,27)/b22-15+
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MCP110CAS号: 521310-51-0分子式: C33H36N2O3 分子量: 508.65IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamideSMILES: COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4InChIKey: JWLZIHLAMJDONF-UHFFFAOYSA-NInChI: 1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
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