General Information of the Compound
| Compound ID |
CP0473062
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| Compound Name |
6-Chloro-1-(4-methoxybenzenesulfonyl)-3-(4-ethylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C21H24ClN3O3S
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| Molecular Weight |
433.961
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| Canonical SMILES |
CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
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| InChIKey |
YBPWCFLZJNGMQN-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