General Information of the Compound
| Compound ID |
CP0928334
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| Compound Name |
(R)-N-(1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)-1-(3-p-tolylacrylamido)cyclopentanecarboxamide
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| Structure |
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| Formula |
C37H50N4O4
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| Molecular Weight |
614.831
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| Canonical SMILES |
Cc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1
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| InChI |
InChI=1S/C37H50N4O4/c1-28-9-11-29(12-10-28)13-14-34(42)40-37(19-5-6-20-37)36(44)39-33(25-30-7-3-2-4-8-30)35(43)38-26-31-15-21-41(22-16-31)27-32-17-23-45-24-18-32/h2-4,7-14,31-33H,5-6,15-27H2,1H3,(H,38,43)(H,39,44)(H,40,42)/b14-13+/t33-/m1/s1
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| InChIKey |
SPLFUYLAINTXNK-QXORNKNPSA-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