General Information of the Compound
| Compound ID |
CP0294336
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| Compound Name |
(R,E)-2-amino-4-(3-(4,4-difluorobut-1-enyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C21H19F4N3O2
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| Molecular Weight |
421.394
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1
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| InChI |
InChI=1S/C21H19F4N3O2/c1-28-18(29)21(27-20(28)26,14-8-10-16(11-9-14)30-19(24)25)15-6-2-4-13(12-15)5-3-7-17(22)23/h2-6,8-12,17,19H,7H2,1H3,(H2,26,27)/b5-3+/t21-/m1/s1
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| InChIKey |
VSAWCPRVIUYQEL-LAEWNIMASA-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