General Information of the Compound
| Compound ID |
CP0433001
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-phenylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H24Cl2FN7O2
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| Molecular Weight |
616.484
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)c1nc[nH]n1)-c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C31H24Cl2FN7O2/c1-18(20-5-3-2-4-6-20)37-30(42)27-24-16-40(31(43)29-35-17-36-38-29)15-21(13-19-7-10-23(34)11-8-19)28(24)41(39-27)26-12-9-22(32)14-25(26)33/h2-14,17-18H,15-16H2,1H3,(H,37,42)(H,35,36,38)/b21-13+/t18-/m1/s1
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| InChIKey |
MBEMYKYSBQQXMT-KOMLCTQHSA-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