General Information of the Compound
| Compound ID |
CP0553897
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| Compound Name |
US8772323, 159
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C25H28N4O3/c1-2-17-16-23(30)27-28-24(17)19-7-10-21-22(15-19)32-25(26-21)18-5-8-20(9-6-18)31-14-13-29-11-3-4-12-29/h5-10,15,17H,2-4,11-14,16H2,1H3,(H,27,30)
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| InChIKey |
AKNRYYNNBAWWSI-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