General Information of the Compound
| Compound ID |
CP0401663
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| Compound Name |
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
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| Structure |
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| Formula |
C9H12N6O
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| Molecular Weight |
220.236
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| Canonical SMILES |
CC(C)n1nc(\C=N\O)c2c(N)ncnc12
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| InChI |
InChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+
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| InChIKey |
JAHRWOGKTCQYGO-QLKAYGNNSA-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
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret