General Information of the Compound
| Compound ID |
CP0352456
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| Compound Name |
(1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)urea
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| Structure |
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| Formula |
C20H23N3O3
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| Molecular Weight |
353.422
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| Canonical SMILES |
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OC)c23
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| InChI |
InChI=1S/C20H23N3O3/c1-23-7-6-12-9-16(25-2)19(26-3)18-14-10-13(22-20(21)24)5-4-11(14)8-15(23)17(12)18/h4-5,9-10,15H,6-8H2,1-3H3,(H3,21,22,24)
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| InChIKey |
XFXOSXWPTSUGSF-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7