General Information of the Compound
| Compound ID |
CP0450388
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| Compound Name |
3'-((1H-1,2,4-triazol-1-yl)methyl)-4'-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)-c1ccc(C#N)c(Cn2cncn2)c1
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| InChI |
InChI=1S/C16H13N5O3S/c17-8-14-2-1-13(7-15(14)9-21-11-19-10-20-21)12-3-5-16(6-4-12)24-25(18,22)23/h1-7,10-11H,9H2,(H2,18,22,23)
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| InChIKey |
WWRCRHIFZODGAF-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