General Information of the Compound
| Compound ID |
CP0407421
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| Compound Name |
4-[[6-(4-hydroxy-4-methylpiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
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| Structure |
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| Formula |
C22H27N3O4
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| Molecular Weight |
397.475
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| Canonical SMILES |
Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(C)(O)CC1
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| InChI |
InChI=1S/C22H27N3O4/c1-13-5-6-17(25-9-7-22(4,29)8-10-25)23-19(13)20(26)24-18-14(2)11-16(21(27)28)12-15(18)3/h5-6,11-12,29H,7-10H2,1-4H3,(H,24,26)(H,27,28)
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| InChIKey |
RTDXITZEQPBLLI-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