General Information of the Compound
| Compound ID |
CP0452870
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| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C27H28FN3O2
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| Molecular Weight |
445.538
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(F)c1)c1ccccc1
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| InChI |
InChI=1S/C27H28FN3O2/c1-27(2,21-11-7-4-8-12-21)26(33)29-22-13-14-24(23(28)19-22)30-15-17-31(18-16-30)25(32)20-9-5-3-6-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,33)
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| InChIKey |
GHFZUINYOURMGF-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