General Information of the Compound
| Compound ID |
CP0438546
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9-cycloheptyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
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| Structure |
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| Formula |
C27H35BrN2O2
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| Molecular Weight |
499.493
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCCC1
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| InChI |
InChI=1S/C27H35BrN2O2/c1-32-26-23-14-7-6-13-22(23)25(28)17-24(26)27(31)29-18-15-20-11-8-12-21(16-18)30(20)19-9-4-2-3-5-10-19/h6-7,13-14,17-21H,2-5,8-12,15-16H2,1H3,(H,29,31)
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| InChIKey |
WATKEYSVNBHFPF-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor