General Information of the Compound
| Compound ID |
CP0530381
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| Compound Name |
US9181253, 115
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| Structure |
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| Formula |
C13H16ClN5O2
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| Molecular Weight |
309.757
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| Canonical SMILES |
CCNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
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| InChI |
InChI=1S/C13H16ClN5O2/c1-2-15-10-8-11(18-12(14)17-10)19(5-16-8)13-3-6(13)9(21)7(20)4-13/h5-7,9,20-21H,2-4H2,1H3,(H,15,17,18)/t6-,7-,9+,13-/m0/s1
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| InChIKey |
UYQIVPRVEBHZPH-FWAJVQJESA-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