General Information of the Compound
| Compound ID |
CP0453188
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| Compound Name |
1-(3,4-Dichloro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
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| Structure |
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| Formula |
C19H18Cl2N2O2S
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| Molecular Weight |
409.338
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| Canonical SMILES |
CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H18Cl2N2O2S/c1-22-9-8-13(11-22)16-12-23(19-5-3-2-4-15(16)19)26(24,25)14-6-7-17(20)18(21)10-14/h2-7,10,12-13H,8-9,11H2,1H3
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| InChIKey |
SHXFFVWCEONIIE-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