General Information of the Compound
| Compound ID |
CP0456538
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| Compound Name |
US9452986, 596
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| Structure |
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| Formula |
C20H16F3N3O2
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| Molecular Weight |
387.361
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1
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| InChI |
InChI=1S/C20H16F3N3O2/c21-20(22,23)13-5-9-18(24-11-13)28-15-6-8-16-12(10-15)4-7-17(26-16)19(27)25-14-2-1-3-14/h4-11,14H,1-3H2,(H,25,27)
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| InChIKey |
RLPYPXUVYDPRBB-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