General Information of the Compound
| Compound ID |
CP0710975
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| Compound Name |
5-(4-chlorophenyl)-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)thiophene-2-sulfonamide
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| Structure |
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| Formula |
C21H21ClN2O2S2
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| Molecular Weight |
432.998
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| Canonical SMILES |
CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2CC1
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| InChI |
InChI=1S/C21H21ClN2O2S2/c1-24-12-10-15-4-7-19(14-17(15)11-13-24)23-28(25,26)21-9-8-20(27-21)16-2-5-18(22)6-3-16/h2-9,14,23H,10-13H2,1H3
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| InChIKey |
UZYOEBMFBYDQJT-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor