General Information of the Compound
| Compound ID |
CP0058849
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| Compound Name |
US8530648, 85
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
Cc1ccc(C)c(CN2C(=O)CCCC22CCN(CC2)c2cnc3ccccc3n2)c1
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| InChI |
InChI=1S/C26H30N4O/c1-19-9-10-20(2)21(16-19)18-30-25(31)8-5-11-26(30)12-14-29(15-13-26)24-17-27-22-6-3-4-7-23(22)28-24/h3-4,6-7,9-10,16-17H,5,8,11-15,18H2,1-2H3
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| InChIKey |
XOEYXHCZYQOOHV-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