General Information of the Compound
| Compound ID |
CP0014844
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| Compound Name |
(3S)-3-(cyclobutylamino)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-1H-indol-2-one
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| Structure |
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| Formula |
C25H26N8O
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| Molecular Weight |
454.538
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(NC3CCC3)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C25H26N8O/c1-4-33-22(16-11-26-14(2)27-12-16)31-21-20(28-13-29-23(21)33)15-8-9-19-18(10-15)25(3,24(34)30-19)32-17-6-5-7-17/h8-13,17,32H,4-7H2,1-3H3,(H,30,34)/t25-/m0/s1
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| InChIKey |
WWASZRLKXAUNIT-VWLOTQADSA-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