General Information of the Compound
| Compound ID |
CP0914971
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| Compound Name |
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-bromophenyl)-1H-imidazol-1-yl)methanone
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| Structure |
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| Formula |
C23H22BrN3O2
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| Molecular Weight |
452.352
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| Canonical SMILES |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cnc(-c2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C23H22BrN3O2/c24-20-11-9-19(10-12-20)22-14-26(17-25-22)23(28)27-13-5-4-8-21(27)16-29-15-18-6-2-1-3-7-18/h1-4,6-12,14,17,21H,5,13,15-16H2/t21-/m1/s1
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| InChIKey |
ITPARZYGSONKCO-OAQYLSRUSA-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: PT04933, Diacylglycerol lipase-alpha
Protein ID: PT02720, Monoacylglycerol lipase ABHD6