General Information of the Compound
| Compound ID |
CP0572262
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| Compound Name |
US9428456, 1.269
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| Structure |
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| Formula |
C27H36ClN3O2
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| Molecular Weight |
470.057
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C27H36ClN3O2/c1-26(2,3)30-24(32)20-13-15-31(16-14-20)18-19-7-6-8-23(17-19)29-25(33)27(4,5)21-9-11-22(28)12-10-21/h6-12,17,20H,13-16,18H2,1-5H3,(H,29,33)(H,30,32)
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| InChIKey |
PEWRQYYEODCVSW-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