General Information of the Compound
| Compound ID |
CP0554069
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| Compound Name |
US9428456, 1.307
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CCC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cncc(C)c2)c1
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| InChI |
InChI=1S/C28H38N4O2/c1-3-26(32-14-12-21(13-15-32)27(33)30-24-9-5-4-6-10-24)22-8-7-11-25(17-22)31-28(34)23-16-20(2)18-29-19-23/h7-8,11,16-19,21,24,26H,3-6,9-10,12-15H2,1-2H3,(H,30,33)(H,31,34)
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| InChIKey |
MTWZRTQJHVYMHA-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