General Information of the Compound
| Compound ID |
CP0431070
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| Compound Name |
1-(1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(4-morpholinophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
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| Structure |
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| Formula |
C27H27ClN4O3
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| Molecular Weight |
490.991
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| Canonical SMILES |
COc1cccc(c1)N1C(N(N=C1C(C)=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
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| InChIKey |
AYULBOXVHKIVEG-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