General Information of the Compound
| Compound ID |
CP0490713
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| Compound Name |
2-(7,7-dimethyl-2-p-tolyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-ylthio)-N-(2-methoxyphenyl)propanamide
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| Structure |
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| Formula |
C26H29N3O3S
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| Molecular Weight |
463.603
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| Canonical SMILES |
COc1ccccc1NC(=O)C(C)Sc1nc(nc2CC(C)(C)OCc12)-c1ccc(C)cc1
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| InChI |
InChI=1S/C26H29N3O3S/c1-16-10-12-18(13-11-16)23-27-21-14-26(3,4)32-15-19(21)25(29-23)33-17(2)24(30)28-20-8-6-7-9-22(20)31-5/h6-13,17H,14-15H2,1-5H3,(H,28,30)
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| InChIKey |
SSICYFCGLBBCKU-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