General Information of the Compound
| Compound ID |
CP0376491
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-benzyl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C28H30N4O
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| Molecular Weight |
438.575
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| Canonical SMILES |
O=C(NCc1ccccc1CN1CCC(Cc2ccccc2)CC1)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C28H30N4O/c29-19-24-9-6-12-27(18-24)31-28(33)30-20-25-10-4-5-11-26(25)21-32-15-13-23(14-16-32)17-22-7-2-1-3-8-22/h1-12,18,23H,13-17,20-21H2,(H2,30,31,33)
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| InChIKey |
RRLIYYQTIBZXCK-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