General Information of the Compound
| Compound ID |
CP0552509
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| Compound Name |
3-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]-2,2-dimethylpropan-1-ol
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| Structure |
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| Formula |
C20H22ClN5O3S
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| Molecular Weight |
447.948
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| Canonical SMILES |
CC(C)(CO)Cn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H22ClN5O3S/c1-20(2,12-27)11-25-16-5-4-13(21)8-15(16)23-18(25)10-26-17-9-22-7-6-14(17)19(24-26)30(3,28)29/h4-9,27H,10-12H2,1-3H3
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| InChIKey |
GKLSWCVTHGCHNP-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