General Information of the Compound
| Compound ID |
CP0071398
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1
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| InChI |
InChI=1S/C20H19N5O2/c1-12-16(11-22-25-12)17-7-6-14-9-18(24-19(14)23-17)20(26)21-10-13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
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| InChIKey |
XHIGXQJTNWSSII-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