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basic_info |
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Product_Name: | IBODUTANT |
CAS: | 522664-63-7 |
EnglishSynonyms: | BENZO[B]THIOPHENE-2-CARBOXAMIDE, 6-METHYL-N-[1-[[[(1R)-2-OXO-1-(PHENYLMETHYL)-2-[[[1-[(TETRAHYDRO-2H-PYRAN-4-YL)METHYL]-4-PIPERIDINYL]METHYL]AMINO]ETHYL]AMINO]CARBONYL]CYCLOPENTYL]- ; IBODUTANT ; 6-METHYL-N-[1-[[[(1R)-2-OXO-1-(PHENYLMETHYL)-2-[[[1-[(TETRAHYDRO-2H-PYRAN-4-YL)METHYL]-4-PIPERIDINYLBENZO[B]THIOPHENE]]]-2-CARBOXAMIDE ; 6-METHYL-N-(1-([(1R)-1-(([1-(OXAN-4-YLMETHYL)PIPERIDIN-4-YL]METHYL)CARBAMOYL)-2-PHENYLETHYL]CARBAMOYL)CYCLOPENTYL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE |
pro_mdlNumber: | MFCD14635358 |
pro_acceptors: | 8 |
pro_donors: | 3 |
pro_smile: | Cc1ccc2cc(sc2c1)C(=O)NC3(CCCC3)C(=O)N[C@H](Cc4ccccc4)C(=O)NCC5CCN(CC5)CC6CCOCC6 |
InChi: | InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1 |
InChiKey: | InChIKey=YQYSVMKCMIUCHY-WJOKGBTCSA-N |
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