General Information of the Compound
| Compound ID |
CP0094078
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H18N4O2
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| Molecular Weight |
358.401
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| Canonical SMILES |
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
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| InChI |
InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(9-17)12-24-21(26)20-10-16-13-23-18(11-19(16)25-20)15-5-7-22-8-6-15/h2-11,13,25H,12H2,1H3,(H,24,26)
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| InChIKey |
UOLREEVMBAZXFP-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