General Information of the Compound
| Compound ID |
CP0390676
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| Compound Name |
1-(benzenesulfonyl)-5-piperidin-4-yl-2,3-dihydroindole
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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 |
O=S(=O)(N1CCc2cc(ccc12)C1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O2S/c22-24(23,18-4-2-1-3-5-18)21-13-10-17-14-16(6-7-19(17)21)15-8-11-20-12-9-15/h1-7,14-15,20H,8-13H2
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| InChIKey |
QUQYSWVPUBLGDM-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