General Information of the Compound
| Compound ID |
CP0461689
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| Compound Name |
1-(2-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)ethanone
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| Structure |
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| Formula |
C23H30N2O3
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| Molecular Weight |
382.504
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| Canonical SMILES |
CC(=O)c1ccccc1OCC(O)CN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C23H30N2O3/c1-17-7-6-9-22(18(17)2)25-13-11-24(12-14-25)15-20(27)16-28-23-10-5-4-8-21(23)19(3)26/h4-10,20,27H,11-16H2,1-3H3
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| InChIKey |
TYPJRWNHYJEIDH-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