General Information of the Compound
| Compound ID |
CP0411163
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| Compound Name |
(8E)-1-(4-chlorophenyl)-8-[(4-fluorophenyl)methylidene]-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 |
C29H26ClFN4O
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| Molecular Weight |
501.005
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1)c1ccccn1
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| InChI |
InChI=1S/C29H26ClFN4O/c1-19(26-8-4-5-17-32-26)33-29(36)27-25-7-3-2-6-21(18-20-9-13-23(31)14-10-20)28(25)35(34-27)24-15-11-22(30)12-16-24/h4-5,8-19H,2-3,6-7H2,1H3,(H,33,36)/b21-18+/t19-/m1/s1
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| InChIKey |
HZAFFOPZBPZPPC-AZZGVMCLSA-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