General Information of the Compound
| Compound ID |
CP0465228
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| Compound Name |
(4S)-3-[2-[[(1S)-1-[5-(2-tert-butylpyridin-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 |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1
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| InChI |
InChI=1S/C26H32N6O2/c1-16(2)21-15-34-25(33)32(21)23-10-12-28-24(31-23)30-17(3)20-8-7-19(14-29-20)18-9-11-27-22(13-18)26(4,5)6/h7-14,16-17,21H,15H2,1-6H3,(H,28,30,31)/t17-,21+/m0/s1
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| InChIKey |
FVDBCOKSIXINOH-LAUBAEHRSA-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