General Information of the Compound
| Compound ID |
CP0555889
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| Compound Name |
2-bromo-N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]benzamide
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| Structure |
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| Formula |
C28H29BrFN3O2
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| Molecular Weight |
538.461
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| Canonical SMILES |
CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2Br)cc1F)c1ccccc1
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| InChI |
InChI=1S/C28H29BrFN3O2/c1-2-31-28(35)26(19-8-4-3-5-9-19)20-14-16-33(17-15-20)25-13-12-21(18-24(25)30)32-27(34)22-10-6-7-11-23(22)29/h3-13,18,20,26H,2,14-17H2,1H3,(H,31,35)(H,32,34)
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| InChIKey |
SRICRZIKTRCVJA-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