General Information of the Compound
| Compound ID |
CP0425630
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| Compound Name |
6-N-[(2,4-dichlorophenyl)methyl]-2-N-[5-(diethylamino)pentan-2-yl]-7H-purine-2,6-diamine
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| Structure |
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| Formula |
C21H29Cl2N7
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| Molecular Weight |
450.418
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2[nH]cnc2n1
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| InChI |
InChI=1S/C21H29Cl2N7/c1-4-30(5-2)10-6-7-14(3)27-21-28-19(18-20(29-21)26-13-25-18)24-12-15-8-9-16(22)11-17(15)23/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H3,24,25,26,27,28,29)
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| InChIKey |
JRDYRBDZJPIRTQ-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