General Information of the Compound
| Compound ID |
CP0400921
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| Compound Name |
methyl 2-(4-bromophenyl)-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C26H34BrFN2O2
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| Molecular Weight |
505.472
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| Canonical SMILES |
COC(=O)C(CCCN1CCN(Cc2ccccc2F)CC1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H34BrFN2O2/c1-20(2)26(25(31)32-3,22-9-11-23(27)12-10-22)13-6-14-29-15-17-30(18-16-29)19-21-7-4-5-8-24(21)28/h4-5,7-12,20H,6,13-19H2,1-3H3
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| InChIKey |
TZOXLDGQHYFMCA-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