General Information of the Compound
| Compound ID |
CP0245282
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| Compound Name |
N-(3-isoquinolin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
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| Structure |
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| Formula |
C28H22N4O
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| Molecular Weight |
430.511
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
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| InChI |
InChI=1S/C28H22N4O/c33-28(25-10-3-4-11-27(25)31-17-20-12-14-29-15-13-20)32-23-8-5-7-21(16-23)26-19-30-18-22-6-1-2-9-24(22)26/h1-16,18-19,31H,17H2,(H,32,33)
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| InChIKey |
IGMQBINYIPIDJQ-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