General Information of the Compound
| Compound ID |
CP0419579
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| Compound Name |
2-methoxy-4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)benzonitrile
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(C#N)c(OC)c3)c3cccn-23)c1
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| InChI |
InChI=1S/C25H24N4O3/c1-31-19-7-8-21-20(15-19)27-25(23-4-3-11-29(21)23)9-12-28(13-10-25)24(30)17-5-6-18(16-26)22(14-17)32-2/h3-8,11,14-15,27H,9-10,12-13H2,1-2H3
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| InChIKey |
NPVSPCROJQFODK-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