General Information of the Compound
| Compound ID |
CP0555968
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| Compound Name |
US9428456, 1.182
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cccc(C)n2)c1
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| InChI |
InChI=1S/C27H36N4O2/c1-19-8-6-13-25(28-19)27(33)30-24-12-7-9-22(18-24)20(2)31-16-14-21(15-17-31)26(32)29-23-10-4-3-5-11-23/h6-9,12-13,18,20-21,23H,3-5,10-11,14-17H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
SUBDSXJJYOIKCK-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