General Information of the Compound
| Compound ID |
CP0551120
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| Compound Name |
US8987473, 107
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
Cc1nn(Cc2cccc3ccccc23)c2cc(CC(O)=O)ccc12
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| InChI |
InChI=1S/C21H18N2O2/c1-14-18-10-9-15(12-21(24)25)11-20(18)23(22-14)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-11H,12-13H2,1H3,(H,24,25)
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| InChIKey |
MKVPAQJWGDFDNS-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