General Information of the Compound
| Compound ID |
CP0514263
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| Compound Name |
4'-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
Cc1ccnc(NCc2ccc(cc2)-c2ccccc2C(O)=O)c1NC(=O)CC#N
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| InChI |
InChI=1S/C23H20N4O3/c1-15-11-13-25-22(21(15)27-20(28)10-12-24)26-14-16-6-8-17(9-7-16)18-4-2-3-5-19(18)23(29)30/h2-9,11,13H,10,14H2,1H3,(H,25,26)(H,27,28)(H,29,30)
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| InChIKey |
FSPLHKMZNVFHFK-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