General Information of the Compound
| Compound ID |
CP0379623
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| Compound Name |
(4R)-3-[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl]-1-cyclohexyl-4-phenylimidazolidin-2-one
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| Structure |
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
O=C1N(C[C@H](N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C28H35N5O/c34-28-32(23-9-5-2-6-10-23)19-27(22-7-3-1-4-8-22)33(28)24-13-15-31(16-14-24)18-21-11-12-25-26(17-21)30-20-29-25/h1,3-4,7-8,11-12,17,20,23-24,27H,2,5-6,9-10,13-16,18-19H2,(H,29,30)/t27-/m0/s1
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| InChIKey |
UAPJTSHNILVGQX-MHZLTWQESA-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