General Information of the Compound
| Compound ID |
CP0402960
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| Compound Name |
5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C19H19BrClN3O2S
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| Molecular Weight |
468.804
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| Canonical SMILES |
CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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| InChIKey |
KSZQAQVWGITECW-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