General Information of the Compound
| Compound ID |
CP0402655
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| Compound Name |
US9187429, 67
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| Structure |
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| Formula |
C20H21F3N2O
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| Molecular Weight |
362.395
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| Canonical SMILES |
CCC(=O)N[C@H]1[C@H](C)CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F3N2O/c1-3-18(26)25-19-12(2)4-9-15-16(10-24-11-17(15)19)13-5-7-14(8-6-13)20(21,22)23/h5-8,10-12,19H,3-4,9H2,1-2H3,(H,25,26)/t12-,19+/m1/s1
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| InChIKey |
XWASZJSYLNOOBU-BLVKFPJESA-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