General Information of the Compound
| Compound ID |
CP0395886
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| Compound Name |
4-(((4',6-dicyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate
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| Structure |
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| Formula |
C23H17N7O3S
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| Molecular Weight |
471.502
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(cc2)C#N)n2cnnc2)cc1
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| InChI |
InChI=1S/C23H17N7O3S/c24-12-17-1-5-19(6-2-17)23-11-21(8-7-20(23)13-25)30(29-15-27-28-16-29)14-18-3-9-22(10-4-18)33-34(26,31)32/h1-11,15-16H,14H2,(H2,26,31,32)
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| InChIKey |
HQVYQLUPBNQYPY-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