General Information of the Compound
| Compound ID |
CP0386505
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| Compound Name |
(8E)-1-(3,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylcyclopropyl)-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H25Cl2FN4O
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| Molecular Weight |
547.461
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| Canonical SMILES |
Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)c(Cl)c2)C(=O)NC2(CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C30H25Cl2FN4O/c31-24-13-12-22(18-25(24)32)37-28-20(17-19-8-10-21(33)11-9-19)5-1-2-6-23(28)27(36-37)29(38)35-30(14-15-30)26-7-3-4-16-34-26/h3-4,7-13,16-18H,1-2,5-6,14-15H2,(H,35,38)/b20-17+
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| InChIKey |
KLLWBIAQONUJSO-LVZFUZTISA-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