General Information of the Compound
| Compound ID |
CP0438961
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| Compound Name |
3-[2-(piperidin-4-ylmethylcarbamoyl)phenyl]benzoic acid
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C20H22N2O3/c23-19(22-13-14-8-10-21-11-9-14)18-7-2-1-6-17(18)15-4-3-5-16(12-15)20(24)25/h1-7,12,14,21H,8-11,13H2,(H,22,23)(H,24,25)
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| InChIKey |
FVHZYSTWKIIKBH-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