General Information of the Compound
| Compound ID |
CP0509652
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| Compound Name |
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C22H20F4N6O2
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| Molecular Weight |
476.434
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| Canonical SMILES |
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H20F4N6O2/c1-13(23)16-11-34-20(33)32(16)18-5-8-27-19(29-18)30-21(6-7-21)17-10-31(12-28-17)15-4-2-3-14(9-15)22(24,25)26/h2-5,8-10,12-13,16H,6-7,11H2,1H3,(H,27,29,30)/t13-,16+/m0/s1
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| InChIKey |
SKZCVHGPJDHOKU-XJKSGUPXSA-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