General Information of the Compound
| Compound ID |
CP0217497
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| Compound Name |
3-(tert-butylamino)-4-[[2-(9H-fluoren-2-ylamino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O
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| InChI |
InChI=1S/C25H23N5O2/c1-25(2,3)30-21-20(22(31)23(21)32)28-19-10-11-26-24(29-19)27-16-8-9-18-15(13-16)12-14-6-4-5-7-17(14)18/h4-11,13,30H,12H2,1-3H3,(H2,26,27,28,29)
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| InChIKey |
DZSCOPNYGJCJSL-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