General Information of the Compound
| Compound ID |
CP0518567
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| Compound Name |
US8772323, 209
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)N2CCCC2)cc1
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| InChI |
InChI=1S/C26H30N4O3/c1-3-18-15-24(31)28-29-25(18)20-8-11-22-23(14-20)33-26(27-22)19-6-9-21(10-7-19)32-16-17(2)30-12-4-5-13-30/h6-11,14,17-18H,3-5,12-13,15-16H2,1-2H3,(H,28,31)
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| InChIKey |
PZLWHKZNPDOYFI-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