General Information of the Compound
| Compound ID |
CP0579864
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| Compound Name |
N-(4-methylphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C23H21N3O
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| Molecular Weight |
355.441
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| Canonical SMILES |
Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)cc1
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| InChI |
InChI=1S/C23H21N3O/c1-16-5-8-21(9-6-16)26-22(27)10-7-17-3-2-4-18(13-17)20-14-19-11-12-24-23(19)25-15-20/h2-6,8-9,11-15H,7,10H2,1H3,(H,24,25)(H,26,27)
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| InChIKey |
JCKVLPHXLBKZSF-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