General Information of the Compound
| Compound ID |
CP0879186
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| Compound Name |
5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide
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| Structure |
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| Formula |
C19H29N5O6
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| Molecular Weight |
423.47
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| Canonical SMILES |
CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O
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| InChI |
InChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18?/m0/s1
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| InChIKey |
FOUQIXNUUYCGAU-CDJKEZFESA-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