General Information of the Compound
| Compound ID |
CP0423888
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| Compound Name |
US9452986, 597
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| Structure |
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| Formula |
C19H14F3N3O2
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| Molecular Weight |
373.334
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC2)nc1
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| InChI |
InChI=1S/C19H14F3N3O2/c20-19(21,22)13-3-7-17(23-11-13)27-14-4-6-15-12(10-14)2-5-16(24-15)18(26)25-8-1-9-25/h2-7,10-11H,1,8-9H2
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| InChIKey |
VLOYGTFAWSHKJJ-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha