General Information of the Compound
| Compound ID |
CP0510062
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| Compound Name |
4-[[6-(4,4-difluoropiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid
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| Structure |
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| Formula |
C21H23F2N3O3
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| Molecular Weight |
403.429
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| Canonical SMILES |
Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(F)(F)CC1
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| InChI |
InChI=1S/C21H23F2N3O3/c1-12-4-5-16(26-8-6-21(22,23)7-9-26)24-18(12)19(27)25-17-13(2)10-15(20(28)29)11-14(17)3/h4-5,10-11H,6-9H2,1-3H3,(H,25,27)(H,28,29)
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| InChIKey |
BRCZKOAZCVSKRY-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