General Information of the Compound
| Compound ID |
CP0400984
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| Compound Name |
(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H26Cl2FN3O
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| Molecular Weight |
534.462
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C30H26Cl2FN3O/c1-19(21-7-3-2-4-8-21)34-30(37)28-25-10-6-5-9-22(17-20-11-14-24(33)15-12-20)29(25)36(35-28)27-16-13-23(31)18-26(27)32/h2-4,7-8,11-19H,5-6,9-10H2,1H3,(H,34,37)/b22-17+/t19-/m1/s1
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| InChIKey |
HSWSMMPLNSVOKF-ACXJOVJBSA-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