General Information of the Compound
| Compound ID |
CP0051580
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| Compound Name |
MLS000566310
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| Structure |
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| Formula |
C14H11N3O
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| Molecular Weight |
237.262
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| Canonical SMILES |
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
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| InChI |
InChI=1S/C14H11N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-9H,(H2,15,16,17,18)
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| InChIKey |
LYLQJTSHZYGWBO-UHFFFAOYSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic