General Information of the Compound
| Compound ID |
CP0465851
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| Compound Name |
US9452986, 512
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| Structure |
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| Formula |
C21H17F3N4O3
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| Molecular Weight |
430.386
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@H]2CCNC(=O)C2)nc1
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| InChI |
InChI=1S/C21H17F3N4O3/c22-21(23,24)13-2-6-19(26-11-13)31-15-3-5-16-12(9-15)1-4-17(28-16)20(30)27-14-7-8-25-18(29)10-14/h1-6,9,11,14H,7-8,10H2,(H,25,29)(H,27,30)/t14-/m0/s1
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| InChIKey |
KDRVGEHIJOXPBO-AWEZNQCLSA-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