General Information of the Compound
| Compound ID |
CP0554576
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| Compound Name |
4-(4-Benzyl-piperidin-1-ylmethyl)-3-[3-(3-methoxy-phenyl)-ureido]-benzoic acid methyl ester
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)Nc2cccc(OC)c2)c1
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| InChI |
InChI=1S/C29H33N3O4/c1-35-26-10-6-9-25(19-26)30-29(34)31-27-18-23(28(33)36-2)11-12-24(27)20-32-15-13-22(14-16-32)17-21-7-4-3-5-8-21/h3-12,18-19,22H,13-17,20H2,1-2H3,(H2,30,31,34)
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| InChIKey |
MICNQVZTKFBIMO-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