General Information of the Compound
| Compound ID |
CP0481134
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| Compound Name |
US9452986, 431
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| Structure |
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| Formula |
C20H17F3N4O3
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| Molecular Weight |
418.375
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| Canonical SMILES |
FC(F)(F)Oc1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
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| InChI |
InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-3-6-18(25-12-15)29-14-2-5-16-13(11-14)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2
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| InChIKey |
QJXZNXQOXMODEI-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