General Information of the Compound
| Compound ID |
CP0499343
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| Compound Name |
3'-((1H-1,2,4-triazol-1-yl)methyl)-5'-cyanobiphenyl-4-yl sulfamate
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| Structure |
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| Formula |
C16H13N5O3S
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| Molecular Weight |
355.379
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
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| InChI |
InChI=1S/C16H13N5O3S/c17-8-12-5-13(9-21-11-19-10-20-21)7-15(6-12)14-1-3-16(4-2-14)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)
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| InChIKey |
QASDJMZDWWGTMO-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