General Information of the Compound
| Compound ID |
CP0419418
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| Compound Name |
US8772323, 215
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| Structure |
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| Formula |
C26H32N4O3
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| Molecular Weight |
448.567
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(CC)C(C)C)cc1
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| InChI |
InChI=1S/C26H32N4O3/c1-5-18-16-24(31)28-29-25(18)20-9-12-22-23(15-20)33-26(27-22)19-7-10-21(11-8-19)32-14-13-30(6-2)17(3)4/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,28,31)
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| InChIKey |
LGFNQYBLQXMDLY-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