General Information of the Compound
| Compound ID |
CP0400986
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| Compound Name |
(7E)-7-[(5-chlorothiophen-2-yl)methylidene]-1-[2-chloro-4-(trifluoromethyl)phenyl]-N-(1-pyridin-2-ylcyclopropyl)-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C28H21Cl2F3N4OS
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| Molecular Weight |
589.47
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| Canonical SMILES |
FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C28H21Cl2F3N4OS/c29-20-15-17(28(31,32)33)7-9-21(20)37-25-16(14-18-8-10-23(30)39-18)4-3-5-19(25)24(36-37)26(38)35-27(11-12-27)22-6-1-2-13-34-22/h1-2,6-10,13-15H,3-5,11-12H2,(H,35,38)/b16-14+
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| InChIKey |
JRHNCIILHNCYSB-JQIJEIRASA-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