General Information of the Compound
| Compound ID |
CP0258612
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| Compound Name |
(2S,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-N-methylselenolane-2-carboxamide
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| Structure |
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| Formula |
C16H22N6O3Se
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| Molecular Weight |
425.351
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| Canonical SMILES |
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
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| InChI |
InChI=1S/C16H22N6O3Se/c1-17-15(25)12-10(23)11(24)16(26-12)22-7-20-9-13(18-6-19-14(9)22)21-8-4-2-3-5-8/h6-8,10-12,16,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t10-,11+,12-,16+/m0/s1
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| InChIKey |
FXCBTOASEZFIAN-MEQWQQMJSA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3