General Information of the Compound
| Compound ID |
CP0480998
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| Compound Name |
2-N-benzyl-6-N-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine
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| Structure |
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| Formula |
C21H21ClN6
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| Molecular Weight |
392.894
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| Canonical SMILES |
CC(C)c1nc2nc(NCc3ccccc3)nc(Nc3ccc(Cl)cc3)c2[nH]1
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| InChI |
InChI=1S/C21H21ClN6/c1-13(2)18-25-17-19(24-16-10-8-15(22)9-11-16)27-21(28-20(17)26-18)23-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,26,27,28)
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| InChIKey |
LZAFMRPZBQVTML-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