General Information of the Compound
| Compound ID |
CP0503058
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| Compound Name |
1-[2-(4-Benzoyl-piperidin-1-ylmethyl)-phenyl]-3-(2,2-diphenyl-ethyl)-urea
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| Structure |
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| Formula |
C34H35N3O2
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| Molecular Weight |
517.673
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| Canonical SMILES |
O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1CN1CCC(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C34H35N3O2/c38-33(28-16-8-3-9-17-28)29-20-22-37(23-21-29)25-30-18-10-11-19-32(30)36-34(39)35-24-31(26-12-4-1-5-13-26)27-14-6-2-7-15-27/h1-19,29,31H,20-25H2,(H2,35,36,39)
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| InChIKey |
DHYQOPHLANBZCR-UHFFFAOYSA-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