General Information of the Compound
| Compound ID |
CP0525588
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| Compound Name |
2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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| Structure |
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| Formula |
C25H21F3N4O4S
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| Molecular Weight |
530.528
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H21F3N4O4S/c1-17-6-12-21(13-7-17)37(34,35)31-29-14-18-15-32(23-5-3-2-4-22(18)23)16-24(33)30-19-8-10-20(11-9-19)36-25(26,27)28/h2-15,31H,16H2,1H3,(H,30,33)/b29-14+
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| InChIKey |
QDTLOXIHKMJTPT-IPPBACCNSA-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