General Information of the Compound
| Compound ID |
CP0400919
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| Compound Name |
2-(4-Bromo-phenyl)-2-isopropyl-5-[4-(3-methyl-benzyl)-piperazin-1-yl]-pentanoic acid methyl ester
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| Structure |
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| Formula |
C27H37BrN2O2
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| Molecular Weight |
501.509
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| Canonical SMILES |
COC(=O)C(CCCN1CCN(Cc2cccc(C)c2)CC1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H37BrN2O2/c1-21(2)27(26(31)32-4,24-9-11-25(28)12-10-24)13-6-14-29-15-17-30(18-16-29)20-23-8-5-7-22(3)19-23/h5,7-12,19,21H,6,13-18,20H2,1-4H3
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| InChIKey |
GJNISUGDHSTIAF-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