General Information of the Compound
| Compound ID |
CP0065079
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| Compound Name |
US8614253, 29-2
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| Structure |
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| Formula |
C16H11NO2
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| Molecular Weight |
249.269
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| Canonical SMILES |
Oc1ccc2cc(ccc2c1C=O)-c1cccnc1
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| InChI |
InChI=1S/C16H11NO2/c18-10-15-14-5-3-11(13-2-1-7-17-9-13)8-12(14)4-6-16(15)19/h1-10,19H
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| InChIKey |
PZRBMEHVHWSEKZ-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