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组织蛋白酶抑制剂1CAS号 : 225120-65-0 Compound CID : 44224135分子式: C20H24ClN5O2 分子量: 401.89IUPAC Name: 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamideSMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)CInChIKey: MZRVIHRERYCHBL-HNNXBMFYSA-NInChI: InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
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E-64,半胱氨酸蛋白酶抑制剂CAS号 : 66701-25-5 Compound CID : 123985分子式: C15H27N5O5 分子量: 357.41IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acidSMILES: CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1C(O1)C(=O)OInChIKey: LTLYEAJONXGNFG-DCAQKATOSA-NInChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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SF1670,PTEN抑制剂CAS号 : 345630-40-2 Compound CID : 9926586分子式: C19H17NO3 分子量: 307.35IUPAC Name: N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamideSMILES: CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=OInChIKey: VZQDDSYKVYARDW-UHFFFAOYSA-NInChI: InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
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NNC 63-0532,非肽NOP激动剂CAS号 : 250685-44-0 Compound CID : 9803475分子式: C27H29N3O3 分子量: 443.54IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateSMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-NInChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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L 006235,组织蛋白酶K抑制剂CAS号 : 294623-49-7 Compound CID : 9912381分子式: C24H30N6O2S 分子量: 466.6IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamideSMILES: CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#NInChIKey: FIVYCSWOCXEWSE-UHFFFAOYSA-NInChI: InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
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Cathepsin L inhibitor inhibitorCAS号 : 167498-29-5 Compound CID : 10456222分子式: C26H26N2O5 分子量: 446.49IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamateSMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C=O)NC(=O)OCC3=CC=CC=C3InChIKey: QVDJMLQSYRSZKC-UPVQGACJSA-NInChI: InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
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Cathepsin Inhibitor 1CAS号 : 225120-65-0(DMSO)分子式: C20H24ClN5O2 分子量: 401.89SMILES: C[N]1N=C(C=C1C(=O)NC(CC2=CC=CC(=C2)Cl)C(=O)NCC#N)C(C)(C)C
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Odanacatib (MK-0822)CAS号 : 603139-19-1(DMSO)分子式: C25H27F4N3O3S 分子量: 525.56SMILES: CC(C)(F)CC(NC(C1=CC=C(C=C1)C2=CC=C(C=C2)[S](C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C#N
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Cruzain-IN-1CAS号 : 1199523-24-4 Compound CID : 44143088分子式: C14H10F2N6 分子量: 300.27IUPAC Name: 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrileSMILES: CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)FInChIKey: SZYYBVWPURUFRR-UHFFFAOYSA-NInChI: InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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Cruzain-IN-1CAS号 : 1199523-24-4 Compound CID : 44143088分子式: C14H10F2N6 分子量: 300.27IUPAC Name: 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrileSMILES: CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)FInChIKey: SZYYBVWPURUFRR-UHFFFAOYSA-NInChI: InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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E-64CAS号 : 66701-25-5 Compound CID : 123985分子式: C15H27N5O5 分子量: 357.41IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acidSMILES: CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1C(O1)C(=O)OInChIKey: LTLYEAJONXGNFG-DCAQKATOSA-NInChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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SF1670CAS号 : 345630-40-2 Compound CID : 9926586分子式: C19H17NO3 分子量: 307.35IUPAC Name: N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamideSMILES: CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=OInChIKey: VZQDDSYKVYARDW-UHFFFAOYSA-NInChI: InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
