General Information of the Compound
| Compound ID |
CP0555395
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| Compound Name |
US8802663, 140
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| Structure |
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| Formula |
C25H32N4O5
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| Molecular Weight |
468.554
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(COCCCC(=O)CO)c1
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| InChI |
InChI=1S/C25H32N4O5/c1-32-17-23-22(14-26-29(23)20-9-3-2-4-10-20)25-27-24(28-34-25)19-8-5-7-18(13-19)16-33-12-6-11-21(31)15-30/h5,7-8,13-14,20,30H,2-4,6,9-12,15-17H2,1H3
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| InChIKey |
WEDTVRKZOJVQPY-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