General Information of the Compound
| Compound ID |
CP0414433
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| Compound Name |
N-(2-methoxy-6-methyl-1-prop-2-ynoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)methanesulfonamide
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| Structure |
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| Formula |
C22H24N2O4S
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| Molecular Weight |
412.511
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| Canonical SMILES |
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC#C)c23
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| InChI |
InChI=1S/C22H24N2O4S/c1-5-10-28-22-19(27-3)12-15-8-9-24(2)18-11-14-6-7-16(23-29(4,25)26)13-17(14)21(22)20(15)18/h1,6-7,12-13,18,23H,8-11H2,2-4H3
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| InChIKey |
ZMCMESSQBPCZFJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7