General Information of the Compound
| Compound ID |
CP0501011
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| Compound Name |
2-N-(3-aminopropyl)-6-N-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine
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| Structure |
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| Formula |
C17H22ClN7
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| Molecular Weight |
359.865
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| Canonical SMILES |
CC(C)c1nc2nc(NCCCN)nc(Nc3ccc(Cl)cc3)c2[nH]1
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| InChI |
InChI=1S/C17H22ClN7/c1-10(2)14-22-13-15(21-12-6-4-11(18)5-7-12)24-17(20-9-3-8-19)25-16(13)23-14/h4-7,10H,3,8-9,19H2,1-2H3,(H3,20,21,22,23,24,25)
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| InChIKey |
KCUOJCMDBOIBGL-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