General Information of the Compound
| Compound ID |
CP0393942
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-[2-(4-fluoro-phenyl)-ethyl]-urea
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| Structure |
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| Formula |
C28H32FN3O
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| Molecular Weight |
445.582
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| Canonical SMILES |
Fc1ccc(CCNC(=O)Nc2ccccc2CN2CCC(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H32FN3O/c29-26-12-10-22(11-13-26)14-17-30-28(33)31-27-9-5-4-8-25(27)21-32-18-15-24(16-19-32)20-23-6-2-1-3-7-23/h1-13,24H,14-21H2,(H2,30,31,33)
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| InChIKey |
HRTGCUFRXTWMCL-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