General Information of the Compound
| Compound ID |
CP0503059
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-phenyl-ureido)-benzoic acid
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| Structure |
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| Formula |
C27H28FN3O3
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| Molecular Weight |
461.537
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C27H28FN3O3/c28-21-11-9-19(10-12-21)17-20-13-15-31(16-14-20)18-24-23(26(32)33)7-4-8-25(24)30-27(34)29-22-5-2-1-3-6-22/h1-12,20H,13-18H2,(H,32,33)(H2,29,30,34)
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| InChIKey |
CSDXAAUGKFBZOA-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