General Information of the Compound
| Compound ID |
CP0445998
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-phenylethyl]-5-[2-(triazol-1-yl)acetyl]-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C33H29Cl2N7O3
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| Molecular Weight |
642.547
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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)Cn2ccnn2)cc1
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| InChI |
InChI=1S/C33H29Cl2N7O3/c1-21(23-6-4-3-5-7-23)37-33(44)31-27-19-40(30(43)20-41-15-14-36-39-41)18-24(16-22-8-11-26(45-2)12-9-22)32(27)42(38-31)29-13-10-25(34)17-28(29)35/h3-17,21H,18-20H2,1-2H3,(H,37,44)/b24-16+/t21-/m1/s1
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| InChIKey |
JBCOMBGDMIQAAK-KCOUNZPASA-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