General Information of the Compound
| Compound ID |
CP0451444
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| Compound Name |
US9452986, 53
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| Structure |
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| Formula |
C23H19F5N4O2
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| Molecular Weight |
478.421
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCN3CC(F)(F)C[C@H]3C2)nc1
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| InChI |
InChI=1S/C23H19F5N4O2/c24-22(25)10-16-12-31(7-8-32(16)13-22)21(33)19-4-1-14-9-17(3-5-18(14)30-19)34-20-6-2-15(11-29-20)23(26,27)28/h1-6,9,11,16H,7-8,10,12-13H2/t16-/m0/s1
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| InChIKey |
BRVAMCZNBIFERA-INIZCTEOSA-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