General Information of the Compound
| Compound ID |
CP0070206
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| Compound Name |
(R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1
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| InChI |
InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1
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| InChIKey |
JWLSQAAJQTZDQT-HSZRJFAPSA-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