General Information of the Compound
| Compound ID |
CP0379622
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| Compound Name |
(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
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| Structure |
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| Formula |
C33H39N3O2
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| Molecular Weight |
509.694
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| Canonical SMILES |
O=C1N(C[C@H](N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1
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| InChIKey |
HHCBWVIBTCVDEC-YTTGMZPUSA-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