General Information of the Compound
| Compound ID |
CP0521577
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| Compound Name |
US9187429, 107
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| Structure |
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| Formula |
C22H23F3N2O
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| Molecular Weight |
388.433
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| Canonical SMILES |
CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N2O/c1-2-21(28)27-20-5-3-4-15-18(11-26-12-19(15)20)16-9-8-14(22(23,24)25)10-17(16)13-6-7-13/h8-13,20H,2-7H2,1H3,(H,27,28)/t20-/m1/s1
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| InChIKey |
UVWWUGCHMLUNFV-HXUWFJFHSA-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