General Information of the Compound
| Compound ID |
CP0014928
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| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-(3-methoxy-3-methylazetidin-1-yl)-3-methyl-1H-indol-2-one
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| Structure |
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| Formula |
C26H28N8O2
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| Molecular Weight |
484.564
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C26H28N8O2/c1-6-34-22(17-10-27-15(2)28-11-17)32-21-20(29-14-30-23(21)34)16-7-8-19-18(9-16)26(4,24(35)31-19)33-12-25(3,13-33)36-5/h7-11,14H,6,12-13H2,1-5H3,(H,31,35)/t26-/m0/s1
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| InChIKey |
GFTNPBJDAYSSNL-SANMLTNESA-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