General Information of the Compound
| Compound ID |
CP0538926
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-5-hydroxymethyl-phenyl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
OCc1ccc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)Nc2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C28H30N4O2/c29-18-23-7-4-8-26(16-23)30-28(34)31-27-17-24(20-33)9-10-25(27)19-32-13-11-22(12-14-32)15-21-5-2-1-3-6-21/h1-10,16-17,22,33H,11-15,19-20H2,(H2,30,31,34)
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| InChIKey |
TZEFEFXQXXQTHI-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