General Information of the Compound
| Compound ID |
CP0392320
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| Compound Name |
7-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C22H25Cl2N3O2
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| Molecular Weight |
434.367
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
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| InChIKey |
QXPBZNWEPREKHB-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