General Information of the Compound
| Compound ID |
CP0464579
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| Compound Name |
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
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| Structure |
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| Formula |
C35H37FN4O2
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| Molecular Weight |
564.705
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| Canonical SMILES |
CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
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| InChI |
InChI=1S/C35H37FN4O2/c1-3-39(4-2)35(42)33(25-11-6-5-7-12-25)26-18-21-40(22-19-26)32-17-16-28(23-31(32)36)38-34(41)30-15-9-8-14-29(30)27-13-10-20-37-24-27/h5-17,20,23-24,26,33H,3-4,18-19,21-22H2,1-2H3,(H,38,41)
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| InChIKey |
MLKOLGWTURVOMW-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