General Information of the Compound
| Compound ID |
CP0404441
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| Compound Name |
5'-((4-bromobenzyl)(4H-1,2,4-triazol-4-yl)amino)-2'-cyanobiphenyl-4-yl sulfamate
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| Structure |
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| Formula |
C22H17BrN6O3S
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| Molecular Weight |
525.388
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(Br)cc1)n1cnnc1
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| InChI |
InChI=1S/C22H17BrN6O3S/c23-19-6-1-16(2-7-19)13-29(28-14-26-27-15-28)20-8-3-18(12-24)22(11-20)17-4-9-21(10-5-17)32-33(25,30)31/h1-11,14-15H,13H2,(H2,25,30,31)
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| InChIKey |
FIHZMWHHCTXWLS-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
Protein ID: PT01255, Aromatase
Protein ID: PT01689, Steryl-sulfatase