General Information of the Compound
| Compound ID |
CP0945731
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| Compound Name |
N-((3s,5s,7s)-Adamantan-1-yl)-1-(2-morpholinoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H32N4O2
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| Molecular Weight |
408.546
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| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ncccc12
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| InChI |
InChI=1S/C24H32N4O2/c29-23(26-24-13-17-10-18(14-24)12-19(11-17)15-24)21-16-28(22-20(21)2-1-3-25-22)5-4-27-6-8-30-9-7-27/h1-3,16-19H,4-15H2,(H,26,29)
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| InChIKey |
WRLFCJPUKWVRIM-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