General Information of the Compound
| Compound ID |
CP0270729
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| Compound Name |
(R)-2-amino-4-(3-(cyclohexylethynyl)phenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C25H25F2N3O2
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| Molecular Weight |
437.49
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1
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| InChI |
InChI=1S/C25H25F2N3O2/c1-30-22(31)25(29-24(30)28,19-12-14-21(15-13-19)32-23(26)27)20-9-5-8-18(16-20)11-10-17-6-3-2-4-7-17/h5,8-9,12-17,23H,2-4,6-7H2,1H3,(H2,28,29)/t25-/m1/s1
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| InChIKey |
WUXAVDKYNWCPLF-RUZDIDTESA-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