General Information of the Compound
| Compound ID |
CP0423919
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| Compound Name |
US9452986, 44
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| Structure |
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| Formula |
C22H19F3N4O3
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| Molecular Weight |
444.413
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCC(=O)N2CCCC2)nc1
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| InChI |
InChI=1S/C22H19F3N4O3/c23-22(24,25)15-4-8-19(26-12-15)32-16-5-7-17-14(11-16)3-6-18(28-17)21(31)27-13-20(30)29-9-1-2-10-29/h3-8,11-12H,1-2,9-10,13H2,(H,27,31)
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| InChIKey |
VNYZTRSYVPOOCP-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha