General Information of the Compound
| Compound ID |
CP0438910
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| Compound Name |
US9181253, 117
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| Structure |
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| Formula |
C14H18ClN5O2
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| Molecular Weight |
323.784
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| Canonical SMILES |
CC(C)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
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| InChI |
InChI=1S/C14H18ClN5O2/c1-6(2)17-11-9-12(19-13(15)18-11)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,3-4H2,1-2H3,(H,17,18,19)/t7-,8-,10+,14-/m0/s1
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| InChIKey |
UXSFRUIFTAPXIE-AGZVQKLTSA-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: PT01279, Adenosine receptor A3