General Information of the Compound
| Compound ID |
CP0087260
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| Compound Name |
3-[1-(benzenesulfonyl)indol-4-yl]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C19H22N2O2S
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| Molecular Weight |
342.464
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| Canonical SMILES |
CN(C)CCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O2S/c1-20(2)14-7-9-16-8-6-12-19-18(16)13-15-21(19)24(22,23)17-10-4-3-5-11-17/h3-6,8,10-13,15H,7,9,14H2,1-2H3
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| InChIKey |
DCCVQPUCAMNNAF-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