General Information of the Compound
| Compound ID |
CP0038392
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| Compound Name |
(R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C21H18F5N3O3
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| Molecular Weight |
455.383
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCC=C(F)F)c1
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| InChI |
InChI=1S/C21H18F5N3O3/c1-29-18(30)21(28-20(29)27,12-4-7-14(8-5-12)32-19(25)26)13-6-9-15(22)16(11-13)31-10-2-3-17(23)24/h3-9,11,19H,2,10H2,1H3,(H2,27,28)/t21-/m1/s1
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| InChIKey |
LBGKTMHMJXSPFM-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