General Information of the Compound
| Compound ID |
CP0548818
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| Compound Name |
1-(benzenesulfonyl)-3-(piperazin-1-ylmethyl)indole
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1cc(CN2CCNCC2)c2ccccc12
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| InChI |
InChI=1S/C19H21N3O2S/c23-25(24,17-6-2-1-3-7-17)22-15-16(14-21-12-10-20-11-13-21)18-8-4-5-9-19(18)22/h1-9,15,20H,10-14H2
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| InChIKey |
XHSVVNGVIDEDRT-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