General Information of the Compound
| Compound ID |
CP0563751
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)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 |
C32H27Cl2N7O3
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| Molecular Weight |
628.52
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| Canonical SMILES |
COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)c2nc[nH]n2)cc1
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| InChI |
InChI=1S/C32H27Cl2N7O3/c1-19(21-6-4-3-5-7-21)37-31(42)28-25-17-40(32(43)30-35-18-36-38-30)16-22(14-20-8-11-24(44-2)12-9-20)29(25)41(39-28)27-13-10-23(33)15-26(27)34/h3-15,18-19H,16-17H2,1-2H3,(H,37,42)(H,35,36,38)/b22-14+/t19-/m1/s1
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| InChIKey |
KFIUYTPTIHLJGV-VZMFNRANSA-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