General Information of the Compound
| Compound ID |
CP0390673
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| Compound Name |
2-(benzenesulfonyl)-5-piperidin-4-yl-1,3-dihydroisoindole
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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)(N1Cc2ccc(cc2C1)C1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O2S/c22-24(23,19-4-2-1-3-5-19)21-13-17-7-6-16(12-18(17)14-21)15-8-10-20-11-9-15/h1-7,12,15,20H,8-11,13-14H2
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| InChIKey |
OZXWMSRBQOMDKG-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