General Information of the Compound
| Compound ID |
CP0426707
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| Compound Name |
4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-hydroxy-N,N,2-trimethylbut-3-ynamide
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| Structure |
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| Formula |
C19H19N5O2
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| Molecular Weight |
349.394
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| Canonical SMILES |
CN(C)C(=O)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12
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| InChI |
InChI=1S/C19H19N5O2/c1-19(26,17(25)24(2)3)8-7-12-5-4-6-13(9-12)14-10-21-15-11-22-18(20)23-16(14)15/h4-6,9-11,21,26H,1-3H3,(H2,20,22,23)
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| InChIKey |
UVFRTCWEBTUKIS-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