General Information of the Compound
| Compound ID |
CP0092640
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| Compound Name |
4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H28N2O2S
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| Molecular Weight |
372.534
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1
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| InChI |
InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-10-21(11-7-17)26(24,25)22-20-9-8-18-12-14-23(2)15-13-19(18)16-20/h6-11,16,22H,3-5,12-15H2,1-2H3
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| InChIKey |
GGAQZJOAVWSKSS-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