General Information of the Compound
| Compound ID |
CP0503841
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| Compound Name |
US8772323, 66
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| Structure |
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| Formula |
C25H27N3O5
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| Molecular Weight |
449.507
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C25H27N3O5/c1-5-15-13-21(29)27-28-23(15)17-8-11-19-20(12-17)32-24(26-19)16-6-9-18(10-7-16)31-14-22(30)33-25(2,3)4/h6-12,15H,5,13-14H2,1-4H3,(H,27,29)
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| InChIKey |
LTHCKKAQKKPUJK-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