General Information of the Compound
| Compound ID |
CP0404151
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| Compound Name |
(2-Amino-ethyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl ester
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| Structure |
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| Formula |
C21H28N6O5
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| Molecular Weight |
444.492
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)NCCN)cc1
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| InChI |
InChI=1S/C21H28N6O5/c1-3-11-26-18-16(19(28)27(12-4-2)21(26)30)24-17(25-18)14-5-7-15(8-6-14)31-13-32-20(29)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,29)(H,24,25)
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| InChIKey |
YXVMLIXURJOKDG-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