General Information of the Compound
| Compound ID |
CP0499034
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| Compound Name |
1-(2,3-Dichlorobenzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C21H23Cl2N3O2S
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| Molecular Weight |
452.407
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| Canonical SMILES |
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C21H23Cl2N3O2S/c1-2-24-10-12-25(13-11-24)15-16-6-7-19-17(14-16)8-9-26(19)29(27,28)20-5-3-4-18(22)21(20)23/h3-9,14H,2,10-13,15H2,1H3
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| InChIKey |
VZHQBJGRGJYOBZ-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