General Information of the Compound
| Compound ID |
CP0386470
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| Compound Name |
(7E)-5-(4-amino-4-oxobutanoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-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 |
C31H27Cl2FN6O3
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| Molecular Weight |
621.5
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CCC(N)=O)-c1ccc(Cl)cc1Cl)c1ccccn1
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| InChI |
InChI=1S/C31H27Cl2FN6O3/c1-18(25-4-2-3-13-36-25)37-31(43)29-23-17-39(28(42)12-11-27(35)41)16-20(14-19-5-8-22(34)9-6-19)30(23)40(38-29)26-10-7-21(32)15-24(26)33/h2-10,13-15,18H,11-12,16-17H2,1H3,(H2,35,41)(H,37,43)/b20-14+/t18-/m1/s1
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| InChIKey |
NMAQFBQMZAVAOA-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