General Information of the Compound
| Compound ID |
CP0440734
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-benzyl]-3-(3-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
COc1cccc(NC(=O)NCc2ccccc2CN2CCC(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C28H33N3O2/c1-33-27-13-7-12-26(19-27)30-28(32)29-20-24-10-5-6-11-25(24)21-31-16-14-23(15-17-31)18-22-8-3-2-4-9-22/h2-13,19,23H,14-18,20-21H2,1H3,(H2,29,30,32)
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| InChIKey |
KNTROKLIKZWXEX-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