General Information of the Compound
| Compound ID |
CP0520666
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| Compound Name |
US8802663, 147
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| Structure |
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| Formula |
C23H27N5O5
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| Molecular Weight |
453.499
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| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(c1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C23H27N5O5/c1-32-14-19-18(13-25-28(19)17-8-3-2-4-9-17)23-26-21(27-33-23)15-6-5-7-16(12-15)22(31)24-11-10-20(29)30/h5-7,12-13,17H,2-4,8-11,14H2,1H3,(H,24,31)(H,29,30)
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| InChIKey |
OFPHPSADSAVWNW-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