General Information of the Compound
| Compound ID |
CP0259856
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| Compound Name |
US8614253, 26-4
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| Structure |
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| Formula |
C12H9NO2
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| Molecular Weight |
199.209
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| Canonical SMILES |
Oc1ccc(cc1C=O)-c1ccncc1
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| InChI |
InChI=1S/C12H9NO2/c14-8-11-7-10(1-2-12(11)15)9-3-5-13-6-4-9/h1-8,15H
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| InChIKey |
AWOHFBHWSKCQFQ-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