General Information of the Compound
| Compound ID |
CP0400987
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| Compound Name |
(8E)-8-[(5-chlorothiophen-2-yl)methylidene]-1-[2-chloro-4-(trifluoromethyl)phenyl]-N-(1-pyridin-2-ylcyclopropyl)-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H23Cl2F3N4OS
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| Molecular Weight |
603.497
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| Canonical SMILES |
FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCCC\C(=C/c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C29H23Cl2F3N4OS/c30-21-16-18(29(32,33)34)8-10-22(21)38-26-17(15-19-9-11-24(31)40-19)5-1-2-6-20(26)25(37-38)27(39)36-28(12-13-28)23-7-3-4-14-35-23/h3-4,7-11,14-16H,1-2,5-6,12-13H2,(H,36,39)/b17-15+
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| InChIKey |
VPTHGWFPZPEPCX-BMRADRMJSA-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