General Information of the Compound
| Compound ID |
CP0411093
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| Compound Name |
4-fluoro-3-(3-fluorophenylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
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| Structure |
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| Formula |
C18H16F2N2O2S
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| Molecular Weight |
362.401
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2cccc(F)c12
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| InChI |
InChI=1S/C18H16F2N2O2S/c19-12-3-1-4-14(9-12)25(23,24)17-11-22(13-7-8-21-10-13)16-6-2-5-15(20)18(16)17/h1-6,9,11,13,21H,7-8,10H2
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| InChIKey |
JKIQJNZUUPEZKI-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