General Information of the Compound
| Compound ID |
CP0512671
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| Compound Name |
US8772323, 71
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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(OCC2CCNCC2)cc1
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| InChI |
InChI=1S/C25H28N4O3/c1-2-17-14-23(30)28-29-24(17)19-5-8-21-22(13-19)32-25(27-21)18-3-6-20(7-4-18)31-15-16-9-11-26-12-10-16/h3-8,13,16-17,26H,2,9-12,14-15H2,1H3,(H,28,30)
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| InChIKey |
MEWNVQOCFRNJFO-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