General Information of the Compound
| Compound ID |
CP0508908
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| Compound Name |
4,4,4-trifluoro-1-[4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C15H16F3N5O2
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| Molecular Weight |
355.32
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ncccn1
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| InChI |
InChI=1S/C15H16F3N5O2/c16-15(17,18)5-2-11(24)23-8-3-10(4-9-23)14-21-13(22-25-14)12-19-6-1-7-20-12/h1,6-7,10H,2-5,8-9H2
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| InChIKey |
ZORLDIKSOBRMBW-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