General Information of the Compound
| Compound ID |
CP0393228
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| Compound Name |
US9458135, 21
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| Structure |
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| Formula |
C21H17ClFN3O2
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| Molecular Weight |
397.837
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| Canonical SMILES |
CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1
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| InChI |
InChI=1S/C21H17ClFN3O2/c1-26-18-9-17(23)16(8-14(18)5-6-21(26)27)15-7-13(10-24-11-15)12-28-20-4-2-3-19(22)25-20/h2-4,7-11H,5-6,12H2,1H3
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| InChIKey |
LLACDVWVHFYQHP-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