General Information of the Compound
| Compound ID |
CP0537599
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| Compound Name |
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4OCCN(C)c4c3)c3cccn-23)c1
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| InChI |
InChI=1S/C26H28N4O3/c1-28-14-15-33-23-8-5-18(16-22(23)28)25(31)29-12-9-26(10-13-29)24-4-3-11-30(24)21-7-6-19(32-2)17-20(21)27-26/h3-8,11,16-17,27H,9-10,12-15H2,1-2H3
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| InChIKey |
YLULYCIEBXPWQL-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