General Information of the Compound
| Compound ID |
CP0456550
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| Compound Name |
US9452986, 436
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| Structure |
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| Formula |
C18H12F5N3O2
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| Molecular Weight |
397.303
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| Canonical SMILES |
FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NCC(F)(F)F)nc1
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| InChI |
InChI=1S/C18H12F5N3O2/c19-16(20)11-2-6-15(24-8-11)28-12-3-5-13-10(7-12)1-4-14(26-13)17(27)25-9-18(21,22)23/h1-8,16H,9H2,(H,25,27)
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| InChIKey |
ZFJHBKLWSOBPPW-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