General Information of the Compound
| Compound ID |
CP0444518
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| Compound Name |
N-[4-[(1-butyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2,5-dimethylbenzenesulfonamide
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| Formula |
C27H27N5O3S
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| Molecular Weight |
501.612
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| Canonical SMILES |
CCCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3)nc3ccccc3n12
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| InChI |
InChI=1S/C27H27N5O3S/c1-4-5-10-25-29-30-26-27(28-22-8-6-7-9-23(22)32(25)26)35-21-15-13-20(14-16-21)31-36(33,34)24-17-18(2)11-12-19(24)3/h6-9,11-17,31H,4-5,10H2,1-3H3
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| InChIKey |
NCKBFLCWNPAJQS-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