General Information of the Compound
| Compound ID |
CP0440444
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| Compound Name |
(4R)-3-[2-[[1-[1-(3,5-dichlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C21H19Cl2FN6O2
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| Molecular Weight |
477.327
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| Canonical SMILES |
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(Cl)cc(Cl)c2)n1
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| InChI |
InChI=1S/C21H19Cl2FN6O2/c1-12(24)16-10-32-20(31)30(16)18-2-5-25-19(27-18)28-21(3-4-21)17-9-29(11-26-17)15-7-13(22)6-14(23)8-15/h2,5-9,11-12,16H,3-4,10H2,1H3,(H,25,27,28)/t12-,16+/m0/s1
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| InChIKey |
DDHCWTHCUVYSEV-BLLLJJGKSA-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