General Information of the Compound
| Compound ID |
CP0563446
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| Compound Name |
US9452986, 530
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| Structure |
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| Formula |
C20H14F3N3O4
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| Molecular Weight |
417.343
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
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| InChI |
InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
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| InChIKey |
BHHALVLOZQTWNJ-MRXNPFEDSA-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha