General Information of the Compound
| Compound ID |
CP0526676
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| Compound Name |
6-N-(4-chlorophenyl)-8-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
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| Structure |
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| Formula |
C17H21ClN6
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| Molecular Weight |
344.85
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| Canonical SMILES |
CCCNc1nc(Nc2ccc(Cl)cc2)c2[nH]c(nc2n1)C(C)C
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| InChI |
InChI=1S/C17H21ClN6/c1-4-9-19-17-23-15(20-12-7-5-11(18)6-8-12)13-16(24-17)22-14(21-13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H3,19,20,21,22,23,24)
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| InChIKey |
GNPVEPKPNLXABB-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