General Information of the Compound
| Compound ID |
CP0531306
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| Compound Name |
US9428456, 1.312
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| Structure |
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| Formula |
C26H34ClN3O2
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| Molecular Weight |
456.03
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| Canonical SMILES |
CC(C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H34ClN3O2/c1-18(20-8-10-22(27)11-9-20)24(31)28-23-7-5-6-19(16-23)17-30-14-12-21(13-15-30)25(32)29-26(2,3)4/h5-11,16,18,21H,12-15,17H2,1-4H3,(H,28,31)(H,29,32)
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| InChIKey |
CHZWBIMIJNARHT-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