General Information of the Compound
| Compound ID |
CP0465227
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| Compound Name |
(4S)-3-[2-[[(1S)-1-[6-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(c(C)n2)-c2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C24H25F3N6O2/c1-13(2)19-12-35-23(34)33(19)21-8-10-29-22(32-21)31-15(4)18-6-5-17(14(3)30-18)16-7-9-28-20(11-16)24(25,26)27/h5-11,13,15,19H,12H2,1-4H3,(H,29,31,32)/t15-,19+/m0/s1
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| InChIKey |
KADCESULLLZFQS-HNAYVOBHSA-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