General Information of the Compound
Compound ID |
CP0554515
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Compound Name |
US8772323, 218
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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)-c1cccc(OCCN(CC)C(C)C)c1
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InChI |
InChI=1S/C26H32N4O3/c1-5-18-16-24(31)28-29-25(18)19-10-11-22-23(15-19)33-26(27-22)20-8-7-9-21(14-20)32-13-12-30(6-2)17(3)4/h7-11,14-15,17-18H,5-6,12-13,16H2,1-4H3,(H,28,31)
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InChIKey |
MCJVHKXPOOEQCI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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