General Information of the Compound
| Compound ID |
CP0782774
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| Compound Name |
4'-cyano-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 |
C24H23N3O2S
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| Molecular Weight |
417.534
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| Canonical SMILES |
CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cc2CC1
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| InChI |
InChI=1S/C24H23N3O2S/c1-27-14-12-21-6-9-23(16-22(21)13-15-27)26-30(28,29)24-10-7-20(8-11-24)19-4-2-18(17-25)3-5-19/h2-11,16,26H,12-15H2,1H3
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| InChIKey |
VFOQAVYBDYGMOW-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