General Information of the Compound
| Compound ID |
CP0379586
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| Compound Name |
(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyridin-4-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
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| Structure |
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| Formula |
C32H38N4O
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| Molecular Weight |
494.683
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| Canonical SMILES |
O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccncc2)CC1)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C32H38N4O/c37-32-35(29-9-5-2-6-10-29)24-31(28-7-3-1-4-8-28)36(32)30-17-21-34(22-18-30)23-25-11-13-26(14-12-25)27-15-19-33-20-16-27/h1,3-4,7-8,11-16,19-20,29-31H,2,5-6,9-10,17-18,21-24H2/t31-/m0/s1
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| InChIKey |
VAMOQBKPFQCFPI-HKBQPEDESA-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