General Information of the Compound
| Compound ID |
CP0404970
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| Compound Name |
US9458135, 26
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| Structure |
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| Formula |
C22H19F2N3O2
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| Molecular Weight |
395.409
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| Canonical SMILES |
CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ncccc2F)c1C
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| InChI |
InChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(23)4-3-7-26-22)10-25-11-17(13)16-8-14-5-6-21(28)27(2)20(14)9-19(16)24/h3-4,7-11H,5-6,12H2,1-2H3
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| InChIKey |
ATWNEBLAAPSDKN-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