General Information of the Compound
| Compound ID |
CP0458665
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| Compound Name |
2-(4-bromophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylpentanoic acid
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| Structure |
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| Formula |
C25H33BrN2O3
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| Molecular Weight |
489.454
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCC(C(C)C)(C(O)=O)c2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C25H33BrN2O3/c1-19(2)25(24(29)30,20-9-11-21(26)12-10-20)13-6-14-27-15-17-28(18-16-27)22-7-4-5-8-23(22)31-3/h4-5,7-12,19H,6,13-18H2,1-3H3,(H,29,30)
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| InChIKey |
PIVNSOYYTDJWOS-UHFFFAOYSA-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