General Information of the Compound
| Compound ID |
CP0412483
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| Compound Name |
(4S)-4-methyl-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 |
C22H21F3N6O2
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| Molecular Weight |
458.444
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1cc(C)c(cn1)-c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N6O2/c1-12-8-17(28-10-16(12)15-4-6-26-18(9-15)22(23,24)25)14(3)29-20-27-7-5-19(30-20)31-13(2)11-33-21(31)32/h4-10,13-14H,11H2,1-3H3,(H,27,29,30)/t13-,14-/m0/s1
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| InChIKey |
STBYUFXCJRAGIR-KBPBESRZSA-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