General Information of the Compound
| Compound ID |
CP0379621
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| Compound Name |
(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
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| Structure |
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| Formula |
C31H37N5O
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| Molecular Weight |
495.671
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| Canonical SMILES |
O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ncccn2)CC1)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C31H37N5O/c37-31-35(27-10-5-2-6-11-27)23-29(25-8-3-1-4-9-25)36(31)28-16-20-34(21-17-28)22-24-12-14-26(15-13-24)30-32-18-7-19-33-30/h1,3-4,7-9,12-15,18-19,27-29H,2,5-6,10-11,16-17,20-23H2/t29-/m0/s1
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| InChIKey |
UHPJQEHYGGTQIM-LJAQVGFWSA-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