General Information of the Compound
| Compound ID |
CP0932400
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| Compound Name |
1-(4-Methylbenzenesulfonyl)-4-(piperazin-1-ylmethyl)-1H-indole dihydrochloride
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| Structure |
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| Formula |
C20H25Cl2N3O2S
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| Molecular Weight |
442.412
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCNCC4)cccc32)cc1.Cl.Cl
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| InChI |
InChI=1S/C20H23N3O2S.2ClH/c1-16-5-7-18(8-6-16)26(24,25)23-12-9-19-17(3-2-4-20(19)23)15-22-13-10-21-11-14-22;;/h2-9,12,21H,10-11,13-15H2,1H3;2*1H
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| InChIKey |
SJECABFDQOGBEG-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