General Information of the Compound
| Compound ID |
CP0526819
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| Compound Name |
4-[5-chloro-2-[(2-oxo-1-pyrimidin-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
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| Structure |
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| Formula |
C23H18ClN7O
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| Molecular Weight |
443.898
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| Canonical SMILES |
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ncccn4)c3=O)cc2c1
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| InChI |
InChI=1S/C23H18ClN7O/c24-17-4-5-19-16(12-17)13-18(29(19)11-2-1-7-25)15-30-21-14-26-10-6-20(21)31(23(30)32)22-27-8-3-9-28-22/h3-6,8-10,12-14H,1-2,11,15H2
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| InChIKey |
QNQZAYFJHDWQOS-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