General Information of the Compound
| Compound ID |
CP0895354
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| Compound Name |
5-(4-Chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-pyridazine-3-carboxamide
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| Structure |
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| Formula |
C21H24ClN3O3
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| Molecular Weight |
401.894
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| Canonical SMILES |
O=C(N[C@@H]1CCCC[C@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)nn1
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| InChI |
InChI=1S/C21H24ClN3O3/c22-15-9-7-14(8-10-15)16-11-18(24-25-21(16)28-12-13-5-6-13)20(27)23-17-3-1-2-4-19(17)26/h7-11,13,17,19,26H,1-6,12H2,(H,23,27)/t17-,19-/m1/s1
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| InChIKey |
HQXSCIAIRUQCLE-IEBWSBKVSA-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