General Information of the Compound
| Compound ID |
CP0243212
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| Compound Name |
(4R)-3-[2-[[1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C22H21ClF2N6O2
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| Molecular Weight |
474.899
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| Canonical SMILES |
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(NC2(CCC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1
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| InChI |
InChI=1S/C22H21ClF2N6O2/c1-13(24)17-11-33-21(32)31(17)19-5-8-26-20(28-19)29-22(6-2-7-22)18-10-30(12-27-18)14-3-4-16(25)15(23)9-14/h3-5,8-10,12-13,17H,2,6-7,11H2,1H3,(H,26,28,29)/t13-,17+/m0/s1
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| InChIKey |
BHUUINRBENUDAJ-SUMWQHHRSA-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