General Information of the Compound
| Compound ID |
CP0464143
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| Compound Name |
(8E)-8-[(5-chlorothiophen-2-yl)methylidene]-1-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H23Cl2F3N4OS
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| Molecular Weight |
591.486
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1
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| InChI |
InChI=1S/C28H23Cl2F3N4OS/c1-16(22-8-4-5-13-34-22)35-27(38)25-20-7-3-2-6-17(14-19-10-12-24(30)39-19)26(20)37(36-25)23-11-9-18(15-21(23)29)28(31,32)33/h4-5,8-16H,2-3,6-7H2,1H3,(H,35,38)/b17-14+/t16-/m1/s1
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| InChIKey |
AIOQZVVKJGWGOM-WECAROLCSA-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