General Information of the Compound
| Compound ID |
CP0386471
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| Compound Name |
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C30H27Cl3N6O4S
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| Molecular Weight |
674.01
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)CNS(C)(=O)=O)-c1ccc(Cl)cc1Cl)c1ccccn1
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| InChI |
InChI=1S/C30H27Cl3N6O4S/c1-18(25-5-3-4-12-34-25)36-30(41)28-23-17-38(27(40)15-35-44(2,42)43)16-20(13-19-6-8-21(31)9-7-19)29(23)39(37-28)26-11-10-22(32)14-24(26)33/h3-14,18,35H,15-17H2,1-2H3,(H,36,41)/b20-13+/t18-/m1/s1
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| InChIKey |
XVXWQXRAIFLXMM-JZQBQCRLSA-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