General Information of the Compound
| Compound ID |
CP0459475
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| Compound Name |
3-chloro-4-[[5-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)triazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C23H14ClN9O
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| Molecular Weight |
467.88
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| Canonical SMILES |
Clc1cc(ccc1Cn1nccc1-c1cc2n(nnc2cn1)-c1ccc2[nH]c(=O)[nH]c2c1)C#N
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| InChI |
InChI=1S/C23H14ClN9O/c24-16-7-13(10-25)1-2-14(16)12-32-21(5-6-27-32)19-9-22-20(11-26-19)30-31-33(22)15-3-4-17-18(8-15)29-23(34)28-17/h1-9,11H,12H2,(H2,28,29,34)
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| InChIKey |
RGZFRJRRTRMCMU-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