General Information of the Compound
| Compound ID |
CP0852427
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| Compound Name |
1-[4-[(2R)-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)c1ccc(OC[C@H](O)CN2CCN(c3cccc(C)c3C)CC2)cc1
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| InChI |
InChI=1S/C23H30N2O3/c1-17-5-4-6-23(18(17)2)25-13-11-24(12-14-25)15-21(27)16-28-22-9-7-20(8-10-22)19(3)26/h4-10,21,27H,11-16H2,1-3H3/t21-/m1/s1
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| InChIKey |
KQZDGQRWGREOJP-OAQYLSRUSA-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