General Information of the Compound
| Compound ID |
CP0531414
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| Compound Name |
2,5-dimethyl-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
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| Formula |
C24H21N5O3S
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| Molecular Weight |
459.531
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| Canonical SMILES |
Cc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nc3ccccc3n12
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| InChI |
InChI=1S/C24H21N5O3S/c1-15-8-9-16(2)22(14-15)33(30,31)28-18-10-12-19(13-11-18)32-24-23-27-26-17(3)29(23)21-7-5-4-6-20(21)25-24/h4-14,28H,1-3H3
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| InChIKey |
FJTLZBKOYKVHAS-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