General Information of the Compound
| Compound ID |
CP0388159
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| Compound Name |
N-[4-[3-(2-aminoethylcarbamoyl)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C29H25N5O4
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| Molecular Weight |
507.55
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1nc(cc(-c2cccc(c2)C(=O)NCCN)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C29H25N5O4/c1-38-26-12-5-3-10-21(26)29(37)34-27-23(17-31)22(16-24(33-27)20-9-2-4-11-25(20)35)18-7-6-8-19(15-18)28(36)32-14-13-30/h2-12,15-16,35H,13-14,30H2,1H3,(H,32,36)(H,33,34,37)
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| InChIKey |
LMGWTSAHXHKVHU-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