General Information of the Compound
| Compound ID |
CP0526818
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| Compound Name |
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C22H22ClF3N4O3S
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| Molecular Weight |
514.957
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| Canonical SMILES |
CC(n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C22H22ClF3N4O3S/c1-14(22(24,25)26)30-19-6-7-27-12-20(19)29(21(30)31)13-17-11-15-10-16(23)4-5-18(15)28(17)8-3-9-34(2,32)33/h4-7,10-12,14H,3,8-9,13H2,1-2H3
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| InChIKey |
XMJNFRMXQCEUEM-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