General Information of the Compound
| Compound ID |
CP0412257
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| Compound Name |
3-(4-cyanophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C20H11N5
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| Molecular Weight |
321.343
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1c([nH]c2ccc(nc12)C#N)-c1ccncc1
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| InChI |
InChI=1S/C20H11N5/c21-11-13-1-3-14(4-2-13)18-19(15-7-9-23-10-8-15)25-17-6-5-16(12-22)24-20(17)18/h1-10,25H
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| InChIKey |
VERQQIFLZWACIC-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