General Information of the Compound
| Compound ID |
CP0860619
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| Compound Name |
4-Bromo-N-[3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C20H22BrN3O2S
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| Molecular Weight |
448.386
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| Canonical SMILES |
CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc12
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| InChI |
InChI=1S/C20H22BrN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3/t17-/m0/s1
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| InChIKey |
IXFPVXLFUOYTCF-KRWDZBQOSA-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