General Information of the Compound
| Compound ID |
CP0511341
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| Compound Name |
1-(4-Isopropyl benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C22H27N3O2S
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| Molecular Weight |
397.544
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)n1ccc2cc(CN3CCNCC3)ccc12
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| InChI |
InChI=1S/C22H27N3O2S/c1-17(2)19-4-6-21(7-5-19)28(26,27)25-12-9-20-15-18(3-8-22(20)25)16-24-13-10-23-11-14-24/h3-9,12,15,17,23H,10-11,13-14,16H2,1-2H3
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| InChIKey |
ZCLMNAOXIFZSNT-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