General Information of the Compound
| Compound ID |
CP0283545
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| Compound Name |
7-[3-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C23H27Cl2N3O2
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| Molecular Weight |
448.394
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| Canonical SMILES |
Clc1cccc(N2CCCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C23H27Cl2N3O2/c24-20-4-1-5-21(22(20)25)28-12-2-10-27(13-14-28)11-3-15-30-18-7-6-17-8-9-26-23(29)19(17)16-18/h1,4-7,16H,2-3,8-15H2,(H,26,29)
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| InChIKey |
IHIMEHQDIJSRNN-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
Cell-based Assay