General Information of the Compound
| Compound ID |
CP0367684
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| Compound Name |
(2-methoxy-6-methyl-1-prop-2-ynoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)urea
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC#C)c23
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| InChI |
InChI=1S/C22H23N3O3/c1-4-9-28-21-18(27-3)11-14-7-8-25(2)17-10-13-5-6-15(24-22(23)26)12-16(13)20(21)19(14)17/h1,5-6,11-12,17H,7-10H2,2-3H3,(H3,23,24,26)
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| InChIKey |
XSQCIGZAAGBMFI-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