General Information of the Compound
| Compound ID |
CP0519891
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| Compound Name |
US9187429, 82
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| Structure |
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| Formula |
C15H11F4NO
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| Molecular Weight |
297.251
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| Canonical SMILES |
OC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C15H11F4NO/c16-13-5-8(1-3-12(13)15(17,18)19)10-6-20-7-11-9(10)2-4-14(11)21/h1,3,5-7,14,21H,2,4H2
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| InChIKey |
XESQDDURLUPHGC-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial