General Information of the Compound
| Compound ID |
CP0375647
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| Compound Name |
5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate
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| Structure |
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| Formula |
C18H17N5O3S
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| Molecular Weight |
383.433
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| Canonical SMILES |
CN(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
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| InChI |
InChI=1S/C18H17N5O3S/c1-22(2)27(24,25)26-17-7-5-15(6-8-17)18-9-14(3-4-16(18)10-19)11-23-13-20-12-21-23/h3-9,12-13H,11H2,1-2H3
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| InChIKey |
LQUJSUNXRHKXDU-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