General Information of the Compound
| Compound ID |
CP0346191
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| Compound Name |
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(4,4,4-trifluorobutyl)phenyl)-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C21H20F5N3O2
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| Molecular Weight |
441.4
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1
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| InChI |
InChI=1S/C21H20F5N3O2/c1-29-17(30)21(28-19(29)27,14-7-9-16(10-8-14)31-18(22)23)15-6-2-4-13(12-15)5-3-11-20(24,25)26/h2,4,6-10,12,18H,3,5,11H2,1H3,(H2,27,28)/t21-/m1/s1
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| InChIKey |
YRLBQVQPCPSMRE-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