General Information of the Compound
| Compound ID |
CP0645794
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| Compound Name |
4'-chloro-biphenyl-4-sulfonic acid (8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amide
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| Structure |
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| Formula |
C23H22Cl2N2O2S
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| Molecular Weight |
461.414
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| Canonical SMILES |
CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
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| InChI |
InChI=1S/C23H22Cl2N2O2S/c1-27-12-10-18-14-22(25)23(15-19(18)11-13-27)26-30(28,29)21-8-4-17(5-9-21)16-2-6-20(24)7-3-16/h2-9,14-15,26H,10-13H2,1H3
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| InChIKey |
CUDIFALFXGTJEV-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