General Information of the Compound
| Compound ID |
CP0543829
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| Compound Name |
5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
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| Structure |
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| Formula |
C22H14Cl2N8O
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| Molecular Weight |
477.315
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| Canonical SMILES |
Clc1ccc(Cn2nccc2-c2cc3n(nnc3cn2)-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
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| InChI |
InChI=1S/C22H14Cl2N8O/c23-13-2-1-12(15(24)7-13)11-31-20(5-6-26-31)18-9-21-19(10-25-18)29-30-32(21)14-3-4-16-17(8-14)28-22(33)27-16/h1-10H,11H2,(H2,27,28,33)
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| InChIKey |
WDWCVOWLRWDIJN-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