General Information of the Compound
| Compound ID |
CP0528781
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| Compound Name |
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]pyridin-3-yl]methyl]-7H-purin-8-one
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| Structure |
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| Formula |
C18H26N8O2
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| Molecular Weight |
386.46
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| Canonical SMILES |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCNC)nc3)c2n1
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| InChI |
InChI=1S/C18H26N8O2/c1-3-4-7-21-17-24-15(19)14-16(25-17)26(18(27)23-14)11-12-5-6-13(22-10-12)28-9-8-20-2/h5-6,10,20H,3-4,7-9,11H2,1-2H3,(H,23,27)(H3,19,21,24,25)
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| InChIKey |
YWUQGJUAXOGFOV-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