General Information of the Compound
| Compound ID |
CP0226517
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| Compound Name |
Bromo-acetic acid 2-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-1-methyl-ethyl ester
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| Structure |
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| Formula |
C18H25BrN4O4
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| Molecular Weight |
441.326
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| Canonical SMILES |
CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21)
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| InChIKey |
LTYRNKXCUTXKGC-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