General Information of the Compound
| Compound ID |
CP0058672
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| Compound Name |
[4-(4-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2
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| InChIKey |
KYIPVVYLFPHRLX-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