General Information of the Compound
| Compound ID |
CP0071268
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| Compound Name |
3-[[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C22H24N6O3
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| Molecular Weight |
420.473
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| Canonical SMILES |
CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12
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| InChI |
InChI=1S/C22H24N6O3/c1-12(29)28-10-8-13-11-14(5-6-15(13)28)24-21-23-9-7-16(26-21)25-17-18(20(31)19(17)30)27-22(2,3)4/h5-7,9,11,27H,8,10H2,1-4H3,(H2,23,24,25,26)
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| InChIKey |
MJCBPVVQRZZEGT-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