General Information of the Compound
| Compound ID |
CP0539191
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| Compound Name |
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridin-2-one
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| Structure |
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| Formula |
C22H25ClN4O3S
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| Molecular Weight |
460.987
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| Canonical SMILES |
CC(C)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C22H25ClN4O3S/c1-15(2)27-20-7-8-24-13-21(20)26(22(27)28)14-18-12-16-11-17(23)5-6-19(16)25(18)9-4-10-31(3,29)30/h5-8,11-13,15H,4,9-10,14H2,1-3H3
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| InChIKey |
LTNYPXWVDPKAEJ-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