General Information of the Compound
| Compound ID |
CP0947509
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| Compound Name |
1-[2-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]ethanone
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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 |
CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1
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| InChI |
InChI=1S/C24H32N2O3/c1-17-8-9-24(22(14-17)20(4)27)29-16-21(28)15-25-10-12-26(13-11-25)23-7-5-6-18(2)19(23)3/h5-9,14,21,28H,10-13,15-16H2,1-4H3/t21-/m1/s1
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| InChIKey |
AFWCFKJAWQPAOA-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