General Information of the Compound
| Compound ID |
CP0566266
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| Compound Name |
US9428456, 2.076
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| Structure |
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| Formula |
C25H27N3O2S
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| Molecular Weight |
433.577
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| Canonical SMILES |
O=C(NCc1ccccc1)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1
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| InChI |
InChI=1S/C25H27N3O2S/c29-24(26-17-19-6-2-1-3-7-19)21-11-13-28(14-12-21)18-20-8-4-9-22(16-20)27-25(30)23-10-5-15-31-23/h1-10,15-16,21H,11-14,17-18H2,(H,26,29)(H,27,30)
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| InChIKey |
ZGHHADCMNQPPBQ-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