General Information of the Compound
| Compound ID |
CP0237916
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| Compound Name |
(4R)-3-[2-[[1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C21H18ClF3N6O2
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| Molecular Weight |
478.862
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| Canonical SMILES |
C[C@H](F)[C@H]1COC(=O)N1c1nc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)ncc1F
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| InChI |
InChI=1S/C21H18ClF3N6O2/c1-11(23)16-9-33-20(32)31(16)18-15(25)7-26-19(28-18)29-21(4-5-21)17-8-30(10-27-17)12-2-3-14(24)13(22)6-12/h2-3,6-8,10-11,16H,4-5,9H2,1H3,(H,26,28,29)/t11-,16+/m0/s1
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| InChIKey |
MJMGJMRBYPDOGA-MEDUHNTESA-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