General Information of the Compound
| Compound ID |
CP0460215
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| Compound Name |
2-[3-(aminomethyl)anilino]-1,7-dihydropurin-6-one
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| Structure |
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| Formula |
C12H12N6O
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| Molecular Weight |
256.269
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| Canonical SMILES |
NCc1cccc(Nc2nc(O)c3[nH]cnc3n2)c1
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| InChI |
InChI=1S/C12H12N6O/c13-5-7-2-1-3-8(4-7)16-12-17-10-9(11(19)18-12)14-6-15-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18,19)
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| InChIKey |
BRHVTNIXPRLEBL-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: PT00054, Thymidine kinase
Protein ID: PT01530, Thymidine kinase