General Information of the Compound
| Compound ID |
CP0007206
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| Compound Name |
4-(4-chlorophenyl)-1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)piperazin-2-one
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
OC(CN1CCc2ccccc2C1)CN1CCN(CC1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26ClN3O2/c23-19-5-7-20(8-6-19)25-11-12-26(22(28)16-25)15-21(27)14-24-10-9-17-3-1-2-4-18(17)13-24/h1-8,21,27H,9-16H2
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| InChIKey |
JICPZAXECVIGNV-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