General Information of the Compound
| Compound ID |
CP0932336
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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-isopropylbenzamide
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| Structure |
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| Formula |
C37H52N4O4
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| Molecular Weight |
616.847
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| Canonical SMILES |
CC(C)c1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1
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| InChI |
InChI=1S/C37H52N4O4/c1-27(2)31-10-12-32(13-11-31)34(42)40-37(18-6-7-19-37)36(44)39-33(24-28-8-4-3-5-9-28)35(43)38-25-29-14-20-41(21-15-29)26-30-16-22-45-23-17-30/h3-5,8-13,27,29-30,33H,6-7,14-26H2,1-2H3,(H,38,43)(H,39,44)(H,40,42)/t33-/m1/s1
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| InChIKey |
YTESGRNQARSRHU-MGBGTMOVSA-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