General Information of the Compound
| Compound ID |
CP0466187
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| Compound Name |
US9428456, 1.271
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3Cc4ccccc34)c2)CC1
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| InChI |
InChI=1S/C26H33N3O2/c1-26(2,3)28-24(30)19-11-13-29(14-12-19)17-18-7-6-9-21(15-18)27-25(31)23-16-20-8-4-5-10-22(20)23/h4-10,15,19,23H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
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| InChIKey |
HOJMSFIVJBPRFX-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