General Information of the Compound
| Compound ID |
CP0456392
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| Compound Name |
(2R,4R)-9-tert-butyl-N-(2-phenylpropan-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 |
C21H27N3O
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| Molecular Weight |
337.467
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| Canonical SMILES |
CC(C)(C)n1nc(C(=O)NC(C)(C)c2ccccc2)c2C[C@H]3C[C@H]3c12
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| InChI |
InChI=1S/C21H27N3O/c1-20(2,3)24-18-15-11-13(15)12-16(18)17(23-24)19(25)22-21(4,5)14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,22,25)/t13-,15-/m1/s1
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| InChIKey |
QTMSLDWWPPFWAP-UKRRQHHQSA-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