General Information of the Compound
| Compound ID |
CP0939947
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| Compound Name |
1-[5-acetyl-4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-2-methylphenyl]ethanone
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| Structure |
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CC(=O)c1cc(C(C)=O)c(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1C
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| InChI |
InChI=1S/C25H32N2O4/c1-17-7-5-6-8-24(17)27-11-9-26(10-12-27)15-21(30)16-31-25-13-18(2)22(19(3)28)14-23(25)20(4)29/h5-8,13-14,21,30H,9-12,15-16H2,1-4H3/t21-/m1/s1
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| InChIKey |
JHSQRVVTVSSMCS-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