General Information of the Compound
| Compound ID |
CP0844980
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| Compound Name |
(R)-1-(3-(2-chlorophenyl)acrylamido)-N-(1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C36H47ClN4O4
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| Molecular Weight |
635.249
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| Canonical SMILES |
O=C(/C=C/c1ccccc1Cl)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1
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| InChI |
InChI=1S/C36H47ClN4O4/c37-31-11-5-4-10-30(31)12-13-33(42)40-36(18-6-7-19-36)35(44)39-32(24-27-8-2-1-3-9-27)34(43)38-25-28-14-20-41(21-15-28)26-29-16-22-45-23-17-29/h1-5,8-13,28-29,32H,6-7,14-26H2,(H,38,43)(H,39,44)(H,40,42)/b13-12+/t32-/m1/s1
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| InChIKey |
CUBUOUCVDQTAQY-JWJPGYJNSA-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