General Information of the Compound
| Compound ID |
CP0456541
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| Compound Name |
US9452986, 11
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC(CC2)N2CCOCC2)nc1
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| InChI |
InChI=1S/C25H25F3N4O3/c26-25(27,28)18-2-6-23(29-16-18)35-20-3-5-21-17(15-20)1-4-22(30-21)24(33)32-9-7-19(8-10-32)31-11-13-34-14-12-31/h1-6,15-16,19H,7-14H2
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| InChIKey |
FFWDDSSNXRZFBF-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