General Information of the Compound
| Compound ID |
CP0388384
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| Compound Name |
3-(tert-butylamino)-4-[[2-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C21H21N7O2
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| Molecular Weight |
403.446
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| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O
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| InChI |
InChI=1S/C21H21N7O2/c1-21(2,3)28-17-16(18(29)19(17)30)26-15-8-9-22-20(27-15)25-14-6-4-12(5-7-14)13-10-23-24-11-13/h4-11,28H,1-3H3,(H,23,24)(H2,22,25,26,27)
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| InChIKey |
FRNPTMFJLAHUDE-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