General Information of the Compound
| Compound ID |
CP0433089
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| Compound Name |
methyl 2-(4-bromophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C26H35BrN2O3
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| Molecular Weight |
503.481
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| Canonical SMILES |
COC(=O)C(CCCN1CCN(CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H35BrN2O3/c1-20(2)26(25(30)32-4,21-10-12-22(27)13-11-21)14-7-15-28-16-18-29(19-17-28)23-8-5-6-9-24(23)31-3/h5-6,8-13,20H,7,14-19H2,1-4H3
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| InChIKey |
LJRBNBCTAYVKFU-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