General Information of the Compound
| Compound ID |
CP0428454
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| Compound Name |
2-(4-propylanilino)-1,7-dihydropurin-6-one
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| Structure |
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| Formula |
C14H15N5O
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| Molecular Weight |
269.308
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| Canonical SMILES |
CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1
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| InChI |
InChI=1S/C14H15N5O/c1-2-3-9-4-6-10(7-5-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h4-8H,2-3H2,1H3,(H3,15,16,17,18,19,20)
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| InChIKey |
VZTHIVFIPCEWJI-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
Protein ID: PT01530, Thymidine kinase
Protein ID: PT00054, Thymidine kinase