General Information of the Compound
| Compound ID |
CP0167829
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| Compound Name |
MLS001140457
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| Structure |
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| Formula |
C26H25N3O6S
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| Molecular Weight |
507.568
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C26H25N3O6S/c1-17(30)27-20-4-11-24(12-5-20)36(32,33)29(21-6-8-22(34-2)9-7-21)16-19-14-18-15-23(35-3)10-13-25(18)28-26(19)31/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)
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| InChIKey |
QWTBSIKDZWICLR-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