General Information of the Compound
| Compound ID |
CP0379694
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| Compound Name |
6-Chloro-1-(2,5-dimethoxybenzenesulfonyl)-3-(4-ethylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C22H26ClN3O4S
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| Molecular Weight |
463.987
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| Canonical SMILES |
CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1cc(OC)ccc1OC
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| InChI |
InChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
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| InChIKey |
DIADRQFTBQHTTO-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