General Information of the Compound
| Compound ID |
CP0324814
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| Compound Name |
US8748451, 5
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| Structure |
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| Formula |
C20H16N2O2
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| Molecular Weight |
316.36
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| Canonical SMILES |
ONC(=O)c1ccc(Cn2c3ccccc3c3ccccc23)cc1
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| InChI |
InChI=1S/C20H16N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,24H,13H2,(H,21,23)
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| InChIKey |
CASUOFRPUDPLQN-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