General Information of the Compound
| Compound ID |
CP0388165
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| Compound Name |
N-[6-(2-aminophenyl)-4-[3-(3-aminopropanoylamino)phenyl]-3-cyanopyridin-2-yl]benzamide
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| Structure |
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| Formula |
C28H24N6O2
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| Molecular Weight |
476.54
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| Canonical SMILES |
NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccccc2)c1C#N)-c1ccccc1N
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| InChI |
InChI=1S/C28H24N6O2/c29-14-13-26(35)32-20-10-6-9-19(15-20)22-16-25(21-11-4-5-12-24(21)31)33-27(23(22)17-30)34-28(36)18-7-2-1-3-8-18/h1-12,15-16H,13-14,29,31H2,(H,32,35)(H,33,34,36)
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| InChIKey |
ZHEFFNZUZRYFER-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