General Information of the Compound
| Compound ID |
CP0550663
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| Compound Name |
US9187429, 79
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| Structure |
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| Formula |
C18H16F4N2O
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| Molecular Weight |
352.331
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| Canonical SMILES |
CC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H16F4N2O/c1-10(25)24-17-4-2-3-12-13(8-23-9-14(12)17)11-5-6-15(16(19)7-11)18(20,21)22/h5-9,17H,2-4H2,1H3,(H,24,25)/t17-/m1/s1
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| InChIKey |
KQZMIIXNHUDHFO-QGZVFWFLSA-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