General Information of the Compound
| Compound ID |
CP0399011
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| Compound Name |
6-(4-chloro-3-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-oxo-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridazine-4-carboxamide
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| Structure |
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| Formula |
C29H31ClFN3O2
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| Molecular Weight |
508.037
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c(=O)n(Cc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C29H31ClFN3O2/c1-17-13-19(7-10-23(17)30)24-14-22(26(36)34(33-24)16-18-5-8-21(31)9-6-18)25(35)32-27-28(2,3)20-11-12-29(27,4)15-20/h5-10,13-14,20,27H,11-12,15-16H2,1-4H3,(H,32,35)/t20-,27-,29+/m1/s1
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| InChIKey |
BYGBMSYENNXFDF-LEFTWQHSSA-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