General Information of the Compound
| Compound ID |
CP0476954
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| Compound Name |
US9187429, 56
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| Structure |
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| Formula |
C17H16ClFN2O
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| Molecular Weight |
318.779
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| Canonical SMILES |
CCC(=O)N[C@@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C17H16ClFN2O/c1-2-17(22)21-16-6-4-11-12(8-20-9-13(11)16)10-3-5-14(18)15(19)7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,21,22)/t16-/m1/s1
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| InChIKey |
UKEGKULEZOCJKU-MRXNPFEDSA-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