General Information of the Compound
| Compound ID |
CP0010293
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| Compound Name |
3-bromo-5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C24H25BrFN5O
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| Molecular Weight |
498.4
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(Br)cc(c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H25BrFN5O/c1-17(16-30-9-11-31(12-10-30)24-27-7-2-8-28-24)29-23(32)20-13-19(14-21(25)15-20)18-3-5-22(26)6-4-18/h2-8,13-15,17H,9-12,16H2,1H3,(H,29,32)
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| InChIKey |
OETMGSJJLMYDNZ-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