General Information of the Compound
| Compound ID |
CP0709571
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| Compound Name |
4'-chloro-biphenyl-4-sulfonic acid (8-isopropoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amide
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| Structure |
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| Formula |
C26H29ClN2O3S
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| Molecular Weight |
485.049
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| Canonical SMILES |
CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2
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| InChI |
InChI=1S/C26H29ClN2O3S/c1-18(2)32-26-17-22-13-15-29(3)14-12-21(22)16-25(26)28-33(30,31)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28H,12-15H2,1-3H3
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| InChIKey |
HUBNPWLMVNJPBW-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