General Information of the Compound
| Compound ID |
CP0429094
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| Compound Name |
4-[7-(trifluoromethoxy)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl]benzonitrile
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| Structure |
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| Formula |
C24H19F3N4O2
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| Molecular Weight |
452.436
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| Canonical SMILES |
FC(F)(F)Oc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1
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| InChI |
InChI=1S/C24H19F3N4O2/c25-24(26,27)33-18-7-8-20-19(14-18)29-23(21-2-1-11-31(20)21)9-12-30(13-10-23)22(32)17-5-3-16(15-28)4-6-17/h1-8,11,14,29H,9-10,12-13H2
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| InChIKey |
XURUWTMQUSVZTG-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha