General Information of the Compound
| Compound ID |
CP0529528
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| Compound Name |
(2R,4R)-9-(2,4-difluorophenyl)-N-(2-pyridin-4-ylpropan-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 |
C22H20F2N4O
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| Molecular Weight |
394.425
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| Canonical SMILES |
CC(C)(NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccc(F)cc1F)c1ccncc1
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| InChI |
InChI=1S/C22H20F2N4O/c1-22(2,13-5-7-25-8-6-13)26-21(29)19-16-10-12-9-15(12)20(16)28(27-19)18-4-3-14(23)11-17(18)24/h3-8,11-12,15H,9-10H2,1-2H3,(H,26,29)/t12-,15-/m1/s1
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| InChIKey |
DLUGZFRIOQAQEH-IUODEOHRSA-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