General Information of the Compound
| Compound ID |
CP0482013
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| Compound Name |
[3-(dimethylamino)-4-methoxyphenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-azepane]-1'-yl)methanone
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
COc1ccc-2c(NC3(CCCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
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| InChI |
InChI=1S/C27H32N4O3/c1-29(2)23-17-19(8-11-24(23)34-4)26(32)30-14-6-12-27(13-16-30)25-7-5-15-31(25)22-10-9-20(33-3)18-21(22)28-27/h5,7-11,15,17-18,28H,6,12-14,16H2,1-4H3
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| InChIKey |
SKOODDVGXMMZRD-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