General Information of the Compound
| Compound ID |
CP0143098
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| Compound Name |
3-[(4-chlorophenyl)sulfonyl]-1-(1-isopropylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C21H24ClN3O2S
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| Molecular Weight |
417.962
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| Canonical SMILES |
CC(C)N1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24ClN3O2S/c1-15(2)24-12-4-5-17(13-24)25-14-20(19-6-3-11-23-21(19)25)28(26,27)18-9-7-16(22)8-10-18/h3,6-11,14-15,17H,4-5,12-13H2,1-2H3
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| InChIKey |
BWMGZQWVZZKPMM-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