General Information of the Compound
| Compound ID |
CP0376470
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| Compound Name |
1-(3-Cyano-phenyl)-3-{2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-4-hydroxymethyl-phenyl}-urea
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| Structure |
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| Formula |
C28H29FN4O2
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| Molecular Weight |
472.564
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| Canonical SMILES |
OCc1ccc(NC(=O)Nc2cccc(c2)C#N)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C28H29FN4O2/c29-25-7-4-20(5-8-25)14-21-10-12-33(13-11-21)18-24-15-23(19-34)6-9-27(24)32-28(35)31-26-3-1-2-22(16-26)17-30/h1-9,15-16,21,34H,10-14,18-19H2,(H2,31,32,35)
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| InChIKey |
JRYQAIOBAPWOAW-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