General Information of the Compound
| Compound ID |
CP0927254
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| Compound Name |
(R)-N-(1-((1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)carbamoyl)cyclopentyl)-4-(methylthio)benzamide
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| Structure |
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| Formula |
C35H48N4O4S
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| Molecular Weight |
620.86
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| Canonical SMILES |
CSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1
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| InChI |
InChI=1S/C35H48N4O4S/c1-44-30-11-9-29(10-12-30)32(40)38-35(17-5-6-18-35)34(42)37-31(23-26-7-3-2-4-8-26)33(41)36-24-27-13-19-39(20-14-27)25-28-15-21-43-22-16-28/h2-4,7-12,27-28,31H,5-6,13-25H2,1H3,(H,36,41)(H,37,42)(H,38,40)/t31-/m1/s1
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| InChIKey |
YGYBZZOGZBHMJS-WJOKGBTCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound