General Information of the Compound
| Compound ID |
CP0715637
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| Compound Name |
4-(3,5-dimethylisoxazol-4-yl)-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 |
C22H25N3O3S
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| Molecular Weight |
411.527
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1
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| InChI |
InChI=1S/C22H25N3O3S/c1-15-22(16(2)28-23-15)18-5-8-21(9-6-18)29(26,27)24-20-7-4-17-10-12-25(3)13-11-19(17)14-20/h4-9,14,24H,10-13H2,1-3H3
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| InChIKey |
UXCCYRSVXPBQMU-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