General Information of the Compound
| Compound ID |
CP0401671
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| Compound Name |
3-(dimethylamino)-4-methoxy-N-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-cyclohexane]-1'-yl)benzamide
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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(CCC(CC3)NC(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
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| InChI |
InChI=1S/C27H32N4O3/c1-30(2)23-16-18(7-10-24(23)34-4)26(32)28-19-11-13-27(14-12-19)25-6-5-15-31(25)22-9-8-20(33-3)17-21(22)29-27/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,28,32)
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| InChIKey |
KERGPEHQCLRISX-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