General Information of the Compound
| Compound ID |
CP0431604
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| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4-ylmethyl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C28H27N5O
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| Molecular Weight |
449.558
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| Canonical SMILES |
CN1CCC(CNC(=O)Nc2cccc(c2)C#N)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H27N5O/c1-33-14-12-28(13-15-33,20-31-27(34)32-26-7-3-5-22(17-26)19-30)25-10-8-23(9-11-25)24-6-2-4-21(16-24)18-29/h2-11,16-17H,12-15,20H2,1H3,(H2,31,32,34)
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| InChIKey |
YQTALQCXVJVNGF-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