General Information of the Compound
| Compound ID |
CP0399006
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| Compound Name |
6-(4-chloro-3-methylphenyl)-2-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopyridazine-4-carboxamide
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| Structure |
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| Formula |
C25H26ClFN4O3
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| Molecular Weight |
484.959
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C25H26ClFN4O3/c1-17-14-19(4-7-22(17)26)23-15-21(24(32)28-8-9-30-10-12-34-13-11-30)25(33)31(29-23)16-18-2-5-20(27)6-3-18/h2-7,14-15H,8-13,16H2,1H3,(H,28,32)
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| InChIKey |
BWTLMPMWGZBQDQ-UHFFFAOYSA-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