General Information of the Compound
| Compound ID |
CP0454197
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| Compound Name |
CHEMBL467680
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
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| InChIKey |
VBFDXISBVLMYKY-RUCARUNLSA-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