General Information of the Compound
| Compound ID |
CP0400933
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| Compound Name |
(7E)-7-[(5-chlorothiophen-2-yl)methylidene]-1-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C27H21Cl2F3N4OS
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| Molecular Weight |
577.459
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1
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| InChI |
InChI=1S/C27H21Cl2F3N4OS/c1-15(21-7-2-3-12-33-21)34-26(37)24-19-6-4-5-16(13-18-9-11-23(29)38-18)25(19)36(35-24)22-10-8-17(14-20(22)28)27(30,31)32/h2-3,7-15H,4-6H2,1H3,(H,34,37)/b16-13+/t15-/m1/s1
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| InChIKey |
BEJMVKMGIMTOQH-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