General Information of the Compound
| Compound ID |
CP0456396
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| Compound Name |
(2R,4R)-N-(2-phenylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
CC(C)(NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccccn1)c1ccccc1
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| InChI |
InChI=1S/C22H22N4O/c1-22(2,15-8-4-3-5-9-15)24-21(27)19-17-13-14-12-16(14)20(17)26(25-19)18-10-6-7-11-23-18/h3-11,14,16H,12-13H2,1-2H3,(H,24,27)/t14-,16-/m1/s1
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| InChIKey |
BMCDDPYVIMQDFQ-GDBMZVCRSA-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