General Information of the Compound
| Compound ID |
CP0510271
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| Compound Name |
4'-{[3-(2-Cyano-acetylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
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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 |
COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC#N)cc1
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| InChI |
InChI=1S/C23H20N4O3/c1-30-23(29)19-6-3-2-5-18(19)17-10-8-16(9-11-17)15-26-22-20(7-4-14-25-22)27-21(28)12-13-24/h2-11,14H,12,15H2,1H3,(H,25,26)(H,27,28)
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| InChIKey |
VKNGHGBRYLNJDI-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