General Information of the Compound
| Compound ID |
CP0331679
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| Compound Name |
3-(tert-butylamino)-4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C22H26N6O3
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| Molecular Weight |
422.489
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| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c(=O)c1=O
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| InChI |
InChI=1S/C22H26N6O3/c1-22(2,3)27-18-17(19(29)20(18)30)25-16-8-9-23-21(26-16)24-14-4-6-15(7-5-14)28-10-12-31-13-11-28/h4-9,27H,10-13H2,1-3H3,(H2,23,24,25,26)
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| InChIKey |
FWSYSJUGLNYDIH-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