General Information of the Compound
| Compound ID |
CP0038393
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| Compound Name |
(R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C21H19F4N3O3
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| Molecular Weight |
437.393
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC=C(F)F)c1
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| InChI |
InChI=1S/C21H19F4N3O3/c1-28-18(29)21(27-20(28)26,13-7-9-15(10-8-13)31-19(24)25)14-4-2-5-16(12-14)30-11-3-6-17(22)23/h2,4-10,12,19H,3,11H2,1H3,(H2,26,27)/t21-/m1/s1
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| InChIKey |
UHWBHOZJAQBPJW-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