General Information of the Compound
| Compound ID |
CP0551308
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| Compound Name |
US8802663, 133
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| Structure |
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| Formula |
C24H30N4O5
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| Molecular Weight |
454.527
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1ccc(COCCCC(O)=O)cc1
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| InChI |
InChI=1S/C24H30N4O5/c1-31-16-21-20(14-25-28(21)19-6-3-2-4-7-19)24-26-23(27-33-24)18-11-9-17(10-12-18)15-32-13-5-8-22(29)30/h9-12,14,19H,2-8,13,15-16H2,1H3,(H,29,30)
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| InChIKey |
RZFVBYDSTWFMIS-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