General Information of the Compound
| Compound ID |
CP0451940
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| Compound Name |
(8E)-1-(3,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-8-[[4-(trifluoromethyl)phenyl]methylidene]-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H25Cl2F3N4O
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| Molecular Weight |
585.457
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1)c1ccccn1
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| InChI |
InChI=1S/C30H25Cl2F3N4O/c1-18(26-8-4-5-15-36-26)37-29(40)27-23-7-3-2-6-20(16-19-9-11-21(12-10-19)30(33,34)35)28(23)39(38-27)22-13-14-24(31)25(32)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,37,40)/b20-16+/t18-/m1/s1
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| InChIKey |
PWTCANMLJBJRSK-RILMWAFASA-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