General Information of the Compound
| Compound ID |
CP0531518
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| Compound Name |
US9452986, 34
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| Formula |
C20H16F3N3O3
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| Molecular Weight |
403.36
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| Canonical SMILES |
O[C@H]1C[C@H](C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28)/t13-,14+
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| InChIKey |
RSNYWHWFBAPIII-OKILXGFUSA-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