General Information of the Compound
| Compound ID |
CP0509860
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| Compound Name |
3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl)-2-oxoethyl)urea
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12
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| InChI |
InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)
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| InChIKey |
VNBSZADQGVZUID-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2