General Information of the Compound
| Compound ID |
CP0553834
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| Compound Name |
US8802663, 142
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(\C=C\C(O)=O)c1
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| InChI |
InChI=1S/C22H24N4O4/c1-29-14-19-18(13-23-26(19)17-8-3-2-4-9-17)22-24-21(25-30-22)16-7-5-6-15(12-16)10-11-20(27)28/h5-7,10-13,17H,2-4,8-9,14H2,1H3,(H,27,28)/b11-10+
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| InChIKey |
KHHMAADATMDATK-ZHACJKMWSA-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