General Information of the Compound
| Compound ID |
CP0448105
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| Compound Name |
7-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
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| Structure |
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| Formula |
C31H33Cl2N3O
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| Molecular Weight |
534.531
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| Canonical SMILES |
CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2
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| InChI |
InChI=1S/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
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| InChIKey |
BTFYPKAHJNXBRG-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