General Information of the Compound
| Compound ID |
CP0388161
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| Compound Name |
N-[4-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C31H29N5O4
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| Molecular Weight |
535.604
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1nc(cc(-c2cccc(c2)C(=O)NC(C)(C)CN)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C31H29N5O4/c1-31(2,18-33)36-29(38)20-10-8-9-19(15-20)23-16-25(21-11-4-6-13-26(21)37)34-28(24(23)17-32)35-30(39)22-12-5-7-14-27(22)40-3/h4-16,37H,18,33H2,1-3H3,(H,36,38)(H,34,35,39)
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| InChIKey |
BPMGVPIXHROSEM-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