General Information of the Compound
| Compound ID |
CP0858176
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| Compound Name |
5'-O-(Ethylcarbamoyl)adenosine
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| Structure |
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| Formula |
C13H18N6O5
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| Molecular Weight |
338.324
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| Canonical SMILES |
CCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C13H18N6O5/c1-2-15-13(22)23-3-6-8(20)9(21)12(24-6)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t6-,8-,9-,12-/m1/s1
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| InChIKey |
UKYAOFXFIQLRSQ-WOUKDFQISA-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