General Information of the Compound
| Compound ID |
CP0389296
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| Compound Name |
3-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
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| Structure |
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| Formula |
C18H18ClN5O3S
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| Molecular Weight |
419.894
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| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCO)c2cnccc12
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| InChI |
InChI=1S/C18H18ClN5O3S/c1-28(26,27)18-13-5-6-20-10-16(13)24(22-18)11-17-21-14-9-12(19)3-4-15(14)23(17)7-2-8-25/h3-6,9-10,25H,2,7-8,11H2,1H3
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| InChIKey |
ZHBRVCZEHASCGY-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