General Information of the Compound
| Compound ID |
CP0536100
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| Compound Name |
2-[2-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]ethoxy]ethanol
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| Structure |
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| Formula |
C19H20ClN5O4S
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| Molecular Weight |
449.92
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| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCOCCO)c2cnccc12
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| InChI |
InChI=1S/C19H20ClN5O4S/c1-30(27,28)19-14-4-5-21-11-17(14)25(23-19)12-18-22-15-10-13(20)2-3-16(15)24(18)6-8-29-9-7-26/h2-5,10-11,26H,6-9,12H2,1H3
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| InChIKey |
LQPNESYHCCMBLU-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