General Information of the Compound
| Compound ID |
CP0566142
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| Compound Name |
US8772323, 59
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| Structure |
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| Formula |
C24H21N5O3
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| Molecular Weight |
427.464
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cncnc2)cc1
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| InChI |
InChI=1S/C24H21N5O3/c1-2-16-10-22(30)28-29-23(16)18-5-8-20-21(9-18)32-24(27-20)17-3-6-19(7-4-17)31-13-15-11-25-14-26-12-15/h3-9,11-12,14,16H,2,10,13H2,1H3,(H,28,30)
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| InChIKey |
JEQMAWHXHNSQRG-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