General Information of the Compound
| Compound ID |
CP0537598
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| Compound Name |
[3-(dimethylamino)-4-methoxyphenyl]-[7-(trifluoromethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone
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| Structure |
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| Formula |
C26H27F3N4O2
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| Molecular Weight |
484.522
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| Canonical SMILES |
COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(ccc1-n1cccc21)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
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| InChIKey |
RGKGDWOKTINAMY-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