General Information of the Compound
| Compound ID |
CP0507585
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-[3-(3-methoxy-phenyl)-ureido]-N-methyl-benzamide
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| Structure |
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| Formula |
C29H33FN4O3
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| Molecular Weight |
504.606
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| Canonical SMILES |
CNC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H33FN4O3/c1-31-28(35)25-7-4-8-27(33-29(36)32-23-5-3-6-24(18-23)37-2)26(25)19-34-15-13-21(14-16-34)17-20-9-11-22(30)12-10-20/h3-12,18,21H,13-17,19H2,1-2H3,(H,31,35)(H2,32,33,36)
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| InChIKey |
NHUABRNOAIQQFT-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