General Information of the Compound
| Compound ID |
CP0480175
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| Compound Name |
[7-(difluoromethoxy)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]-[3-(dimethylamino)-4-methoxyphenyl]methanone
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| Structure |
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| Formula |
C26H28F2N4O3
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| Molecular Weight |
482.531
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| Canonical SMILES |
COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(OC(F)F)ccc1-n1cccc21
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| InChI |
InChI=1S/C26H28F2N4O3/c1-30(2)21-15-17(6-9-22(21)34-3)24(33)31-13-10-26(11-14-31)23-5-4-12-32(23)20-8-7-18(35-25(27)28)16-19(20)29-26/h4-9,12,15-16,25,29H,10-11,13-14H2,1-3H3
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| InChIKey |
QWEHIZAOKREMOE-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