General Information of the Compound
| Compound ID |
CP0048757
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C26H28BrCl2N3O2
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| Molecular Weight |
565.339
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H28BrCl2N3O2/c1-34-25-19-8-3-2-7-18(19)21(27)17-20(25)26(33)30-11-4-5-12-31-13-15-32(16-14-31)23-10-6-9-22(28)24(23)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,30,33)
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| InChIKey |
LGTFCCLATINIEE-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