General Information of the Compound
| Compound ID |
CP0378594
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| Compound Name |
[3-(dimethylamino)-4-methoxyphenyl]-(7'-methoxyspiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,4'-5H-pyrrolo[1,2-a]quinoxaline]-2-yl)methanone
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
COc1ccc-2c(NC3(CC4CN(CC4C3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
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| InChI |
InChI=1S/C28H32N4O3/c1-30(2)24-12-18(7-10-25(24)35-4)27(33)31-16-19-14-28(15-20(19)17-31)26-6-5-11-32(26)23-9-8-21(34-3)13-22(23)29-28/h5-13,19-20,29H,14-17H2,1-4H3
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| InChIKey |
BWWRBCAHWUDPJX-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