General Information of the Compound
| Compound ID |
CP0519919
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| Compound Name |
US9296728, 19
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
COc1cc(ccc1\C=C(/C#N)C(O)=O)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C25H22N2O3/c1-30-24-15-23(13-12-21(24)14-22(16-26)25(28)29)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15H,17-18H2,1H3,(H,28,29)/b22-14+
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| InChIKey |
VOPFDHPGYLVCCO-HYARGMPZSA-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