General Information of the Compound
| Compound ID |
CP0117942
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| Compound Name |
(4S)-3-[2-[[(1S)-1-[5-(2-methylpyridin-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 |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(C)c2)n1
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| InChI |
InChI=1S/C23H26N6O2/c1-14(2)20-13-31-23(30)29(20)21-8-10-25-22(28-21)27-16(4)19-6-5-18(12-26-19)17-7-9-24-15(3)11-17/h5-12,14,16,20H,13H2,1-4H3,(H,25,27,28)/t16-,20+/m0/s1
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| InChIKey |
ZDFYNSKUMBIVJP-OXJNMPFZSA-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