General Information of the Compound
| Compound ID |
CP0656167
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| Compound Name |
4'-chloro-2-methyl-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 |
C24H25ClN2O2S
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| Molecular Weight |
440.996
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| Canonical SMILES |
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)ccc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClN2O2S/c1-17-15-23(9-10-24(17)19-3-6-21(25)7-4-19)30(28,29)26-22-8-5-18-11-13-27(2)14-12-20(18)16-22/h3-10,15-16,26H,11-14H2,1-2H3
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| InChIKey |
UAJYHPWCBGWDNL-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