General Information of the Compound
| Compound ID |
CP0447995
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| Compound Name |
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]-3-methylpyridine-2-carbonyl]amino]-2,4-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(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)N1CCCC(CO)C1
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| InChI |
InChI=1S/C22H27N3O4/c1-13-6-8-17(22(28)29)15(3)19(13)24-21(27)20-14(2)7-9-18(23-20)25-10-4-5-16(11-25)12-26/h6-9,16,26H,4-5,10-12H2,1-3H3,(H,24,27)(H,28,29)
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| InChIKey |
BVLDTCPPYOKJCV-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