General Information of the Compound
| Compound ID |
CP0954413
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| Compound Name |
4-((4-cyano-4-(pyridin-2-yl)piperidin-1-yl)methyl)-1-methoxy-2-naphthoic acid
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
COc1c(C(=O)O)cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccc12
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| InChI |
InChI=1S/C24H23N3O3/c1-30-22-19-7-3-2-6-18(19)17(14-20(22)23(28)29)15-27-12-9-24(16-25,10-13-27)21-8-4-5-11-26-21/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,28,29)
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| InChIKey |
PLFMFXXFVVSROT-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