General Information of the Compound
Compound ID |
CP0868008
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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-(ethylthio)benzamide
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Structure |
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Formula |
C36H50N4O4S
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Molecular Weight |
634.887
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Canonical SMILES |
CCSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1
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InChI |
InChI=1S/C36H50N4O4S/c1-2-45-31-12-10-30(11-13-31)33(41)39-36(18-6-7-19-36)35(43)38-32(24-27-8-4-3-5-9-27)34(42)37-25-28-14-20-40(21-15-28)26-29-16-22-44-23-17-29/h3-5,8-13,28-29,32H,2,6-7,14-26H2,1H3,(H,37,42)(H,38,43)(H,39,41)/t32-/m1/s1
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InChIKey |
VYPVPVGKTHZWSY-JGCGQSQUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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