General Information of the Compound
| Compound ID |
CP0957077
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| Compound Name |
4-[(2R)-3-(2-acetyl-4-methylphenoxy)-2-hydroxypropyl]-N-(4-methylphenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(C(=O)Nc2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C24H31N3O4/c1-17-4-7-20(8-5-17)25-24(30)27-12-10-26(11-13-27)15-21(29)16-31-23-9-6-18(2)14-22(23)19(3)28/h4-9,14,21,29H,10-13,15-16H2,1-3H3,(H,25,30)/t21-/m1/s1
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| InChIKey |
FRWIGKWTMBNQMU-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