General Information of the Compound
| Compound ID |
CP0325789
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| Compound Name |
1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C18H16F3N3O2S
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| Molecular Weight |
395.406
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12
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| InChI |
InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-4-14(9-12)27(25,26)16-11-24(13-6-8-22-10-13)17-15(16)5-2-7-23-17/h1-5,7,9,11,13,22H,6,8,10H2
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| InChIKey |
ZCQPOBYGONRNAP-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