General Information of the Compound
| Compound ID |
CP0117899
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| Compound Name |
4-[2-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-4-2-3-15(11-16)19-12-18-17(9-10-23-21(18)24-19)13-5-7-14(8-6-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
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| InChIKey |
SOIQVEVFDNZKNF-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