General Information of the Compound
| Compound ID |
CP0566811
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| Compound Name |
3-(tert-butylamino)-4-[[2-(2,3-dihydro-1-benzofuran-5-ylamino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4OCCc4c3)n2)c(=O)c1=O
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| InChI |
InChI=1S/C20H21N5O3/c1-20(2,3)25-16-15(17(26)18(16)27)23-14-6-8-21-19(24-14)22-12-4-5-13-11(10-12)7-9-28-13/h4-6,8,10,25H,7,9H2,1-3H3,(H2,21,22,23,24)
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| InChIKey |
YXKNRJOHAQUYHN-UHFFFAOYSA-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