General Information of the Compound
| Compound ID |
CP0080002
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| Compound Name |
(4S)-4-ethyl-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C23H23F3N6O2
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| Molecular Weight |
472.471
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| Canonical SMILES |
CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C23H23F3N6O2/c1-4-16-12-34-22(33)32(16)20-6-8-28-21(31-20)30-14(3)18-9-13(2)17(11-29-18)15-5-7-27-19(10-15)23(24,25)26/h5-11,14,16H,4,12H2,1-3H3,(H,28,30,31)/t14-,16-/m0/s1
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| InChIKey |
JOLUEKLYBWIOKL-HOCLYGCPSA-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