General Information of the Compound
| Compound ID |
CP0199099
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| Compound Name |
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C29H35FN4O3
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| Molecular Weight |
506.622
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| Canonical SMILES |
CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
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| InChI |
InChI=1S/C29H35FN4O3/c1-5-33(6-2)29(36)27(21-10-8-7-9-11-21)22-14-16-34(17-15-22)25-13-12-23(18-24(25)30)31-28(35)26-19(3)32-37-20(26)4/h7-13,18,22,27H,5-6,14-17H2,1-4H3,(H,31,35)
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| InChIKey |
HNEQZMGSDQWZIS-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