General Information of the Compound
| Compound ID |
CP0545426
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| Compound Name |
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-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 |
C30H24Cl2N8O2
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| Molecular Weight |
599.482
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)c1nc[nH]n1)-c1ccc(Cl)cc1)c1ccccn1
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| InChI |
InChI=1S/C30H24Cl2N8O2/c1-18(25-4-2-3-13-33-25)36-29(41)26-24-16-39(30(42)28-34-17-35-37-28)15-20(14-19-5-7-21(31)8-6-19)27(24)40(38-26)23-11-9-22(32)10-12-23/h2-14,17-18H,15-16H2,1H3,(H,36,41)(H,34,35,37)/b20-14+/t18-/m1/s1
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| InChIKey |
YXYWTRJMRSCHJZ-SQVRNEIYSA-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