General Information of the Compound
| Compound ID |
CP0484457
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| Compound Name |
US8802663, 144
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| Structure |
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| Formula |
C23H28N4O5
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| Molecular Weight |
440.5
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(OCCCC(O)=O)c1
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| InChI |
InChI=1S/C23H28N4O5/c1-30-15-20-19(14-24-27(20)17-8-3-2-4-9-17)23-25-22(26-32-23)16-7-5-10-18(13-16)31-12-6-11-21(28)29/h5,7,10,13-14,17H,2-4,6,8-9,11-12,15H2,1H3,(H,28,29)
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| InChIKey |
GJLPJDSOVGQAOY-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