General Information of the Compound
| Compound ID |
CP0454391
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| Compound Name |
4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate
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| Structure |
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| Formula |
C22H18N6O3S
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| Molecular Weight |
446.492
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1
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| InChI |
InChI=1S/C22H18N6O3S/c23-13-19-8-9-20(12-22(19)18-4-2-1-3-5-18)28(27-15-25-26-16-27)14-17-6-10-21(11-7-17)31-32(24,29)30/h1-12,15-16H,14H2,(H2,24,29,30)
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| InChIKey |
ZMKRNHNFWTXVOA-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