General Information of the Compound
| Compound ID |
CP0577275
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| Compound Name |
US9428456, 1.353
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| Structure |
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| Formula |
C25H30N4O2S
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| Molecular Weight |
450.608
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc4ncsc4c3)c2)CC1
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| InChI |
InChI=1S/C25H30N4O2S/c1-25(2,3)28-24(31)18-9-11-29(12-10-18)15-17-5-4-6-20(13-17)27-23(30)19-7-8-21-22(14-19)32-16-26-21/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,27,30)(H,28,31)
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| InChIKey |
YBTVHBLUYVGUAH-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