General Information of the Compound
| Compound ID |
CP0145071
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| Compound Name |
4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amide
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| Structure |
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| Formula |
C23H23ClN2O2S
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| Molecular Weight |
426.969
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| Canonical SMILES |
CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1
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| InChI |
InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3
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| InChIKey |
FLVVAVLMHCUYGY-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