General Information of the Compound
| Compound ID |
CP0382563
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| Compound Name |
[3-(dimethylamino)-4-methoxyphenyl]-(8-fluoro-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
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| Structure |
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| Formula |
C26H29FN4O3
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| Molecular Weight |
464.541
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| Canonical SMILES |
COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F
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| InChI |
InChI=1S/C26H29FN4O3/c1-29(2)21-14-17(7-8-22(21)33-3)25(32)30-12-9-26(10-13-30)24-6-5-11-31(24)20-15-18(27)23(34-4)16-19(20)28-26/h5-8,11,14-16,28H,9-10,12-13H2,1-4H3
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| InChIKey |
NESLCFXDKPAXII-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