General Information of the Compound
| Compound ID |
CP0400086
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| Compound Name |
(2-bromophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
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| Structure |
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| Formula |
C23H22BrN3O2
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| Molecular Weight |
452.352
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| Canonical SMILES |
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccccc3Br)c3cccn-23)c1
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| InChI |
InChI=1S/C23H22BrN3O2/c1-29-16-8-9-20-19(15-16)25-23(21-7-4-12-27(20)21)10-13-26(14-11-23)22(28)17-5-2-3-6-18(17)24/h2-9,12,15,25H,10-11,13-14H2,1H3
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| InChIKey |
DYAKEYAYGSFEFE-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