General Information of the Compound
| Compound ID |
CP0456546
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| Compound Name |
US9452986, 47
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| Structure |
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| Formula |
C24H23F3N4O2
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| Molecular Weight |
456.468
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCN(CC2)C2CCC2)nc1
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| InChI |
InChI=1S/C24H23F3N4O2/c25-24(26,27)17-5-9-22(28-15-17)33-19-6-8-20-16(14-19)4-7-21(29-20)23(32)31-12-10-30(11-13-31)18-2-1-3-18/h4-9,14-15,18H,1-3,10-13H2
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| InChIKey |
GRMQYLXIWBGZPB-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