General Information of the Compound
| Compound ID |
CP0491115
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| Compound Name |
US8802663, 102
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| Structure |
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| Formula |
C26H33N5O4
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| Molecular Weight |
479.581
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| Canonical SMILES |
OC(=O)CCNCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1C1CCOCC1
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| InChI |
InChI=1S/C26H33N5O4/c32-23(33)10-13-27-16-18-6-8-20(9-7-18)25-29-26(35-30-25)22-17-28-31(21-4-2-1-3-5-21)24(22)19-11-14-34-15-12-19/h6-9,17,19,21,27H,1-5,10-16H2,(H,32,33)
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| InChIKey |
WAYNBMBPQQQKCR-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