General Information of the Compound
| Compound ID |
CP0957078
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| Compound Name |
1-[4-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C24H32N2O3
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| Molecular Weight |
396.531
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| Canonical SMILES |
CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(C)c3C)CC2)cc1
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| InChI |
InChI=1S/C24H32N2O3/c1-4-24(28)20-8-10-22(11-9-20)29-17-21(27)16-25-12-14-26(15-13-25)23-7-5-6-18(2)19(23)3/h5-11,21,27H,4,12-17H2,1-3H3/t21-/m1/s1
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| InChIKey |
ZWUWWEKCQQQODD-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