General Information of the Compound
| Compound ID |
CP0411164
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C28H23Cl2FN4O
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| Molecular Weight |
521.423
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1
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| InChI |
InChI=1S/C28H23Cl2FN4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-11-21(31)12-9-18)27(22)35(34-26)25-13-10-20(29)16-23(25)30/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
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| InChIKey |
IYOAMTWFZGWWSB-VXNZKSKFSA-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