General Information of the Compound
Compound ID |
CP0475838
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Compound Name |
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)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 |
C31H25Cl2N7O2
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Molecular Weight |
598.494
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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)c1ccccc1
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InChI |
InChI=1S/C31H25Cl2N7O2/c1-19(21-5-3-2-4-6-21)36-30(41)27-26-17-39(31(42)29-34-18-35-37-29)16-22(15-20-7-9-23(32)10-8-20)28(26)40(38-27)25-13-11-24(33)12-14-25/h2-15,18-19H,16-17H2,1H3,(H,36,41)(H,34,35,37)/b22-15+/t19-/m1/s1
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InChIKey |
ODZRGLSWNBPCCB-QTCOBDOFSA-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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PubChem ID | |||||||||||||||||||
ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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