General Information of the Compound
| Compound ID |
CP0493050
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| Compound Name |
(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C26H28N8O8S
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| Molecular Weight |
612.625
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| Canonical SMILES |
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccc(OC)cc3)ncnc12
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| InChI |
InChI=1S/C26H28N8O8S/c1-3-27-24(37)21-19(35)20(36)25(42-21)34-13-30-18-22(28-12-29-23(18)34)32-26(38)31-14-6-10-17(11-7-14)43(39,40)33-15-4-8-16(41-2)9-5-15/h4-13,19-21,25,33,35-36H,3H2,1-2H3,(H,27,37)(H2,28,29,31,32,38)/t19-,20+,21-,25?/m0/s1
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| InChIKey |
FNEKIXGYOZPREV-UZNLOIBPSA-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