General Information of the Compound
| Compound ID |
CP0053897
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| Compound Name |
US9388139, 9
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| Structure |
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| Formula |
C24H22N2O4
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| Molecular Weight |
402.45
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1cccc(OC)c1
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| InChI |
InChI=1S/C24H22N2O4/c1-29-20-12-8-16(9-13-20)23-15-22(18-4-3-5-21(14-18)30-2)25-26(23)19-10-6-17(7-11-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
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| InChIKey |
YRGMYWWQQSAYPS-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