General Information of the Compound
| Compound ID |
CP0511289
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-phenyl-ureido)-benzoic acid methyl ester
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| Structure |
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| Formula |
C28H30FN3O3
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| Molecular Weight |
475.564
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H30FN3O3/c1-35-27(33)24-8-5-9-26(31-28(34)30-23-6-3-2-4-7-23)25(24)19-32-16-14-21(15-17-32)18-20-10-12-22(29)13-11-20/h2-13,21H,14-19H2,1H3,(H2,30,31,34)
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| InChIKey |
IYAXVOVEBDKYET-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