General Information of the Compound
| Compound ID |
CP0468055
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-[3-(3-methoxy-phenyl)-ureido]-benzoic acid methyl ester
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| Structure |
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| Formula |
C29H32FN3O4
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| Molecular Weight |
505.59
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H32FN3O4/c1-36-24-6-3-5-23(18-24)31-29(35)32-27-8-4-7-25(28(34)37-2)26(27)19-33-15-13-21(14-16-33)17-20-9-11-22(30)12-10-20/h3-12,18,21H,13-17,19H2,1-2H3,(H2,31,32,35)
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| InChIKey |
ICPQEPFVLYMWML-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