General Information of the Compound
| Compound ID |
CP0401652
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-4-hydroxy-phenyl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
Oc1ccc(NC(=O)Nc2cccc(c2)C#N)c(CN2CCC(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C27H28N4O2/c28-18-22-7-4-8-24(16-22)29-27(33)30-26-10-9-25(32)17-23(26)19-31-13-11-21(12-14-31)15-20-5-2-1-3-6-20/h1-10,16-17,21,32H,11-15,19H2,(H2,29,30,33)
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| InChIKey |
AUYJORIOBVNNLQ-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