General Information of the Compound
| Compound ID |
CP0390672
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| Compound Name |
2-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole
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| Structure |
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| Formula |
C19H23N3O2S
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| Molecular Weight |
357.479
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2CN(Cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H23N3O2S/c1-20-10-12-21(13-11-20)19-9-5-6-16-14-22(15-18(16)19)25(23,24)17-7-3-2-4-8-17/h2-9H,10-15H2,1H3
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| InChIKey |
DLMFTGKXTGDZCJ-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
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00943, D(3) dopamine receptor