General Information of the Compound
| Compound ID |
CP0521466
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| Compound Name |
1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H17N3O3S
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| Molecular Weight |
367.43
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1cccnc1
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| InChI |
InChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
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| InChIKey |
XNTIBMGLZNTNQR-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