General Information of the Compound
| Compound ID |
CP0386504
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| Compound Name |
(7E)-7-[(5-chlorothiophen-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C26H21Cl3N4OS
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| Molecular Weight |
543.907
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1
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| InChI |
InChI=1S/C26H21Cl3N4OS/c1-15(21-7-2-3-12-30-21)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)22-10-8-17(27)14-20(22)28/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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| InChIKey |
ZMUAAMUXYQLOLG-WTNDLDAUSA-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