General Information of the Compound
| Compound ID |
CP0390029
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| Compound Name |
3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chlorobiphenyl-4-yl sulfamate
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| Structure |
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| Formula |
C15H13ClN4O3S
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| Molecular Weight |
364.814
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1Cl)-c1cccc(Cn2cncn2)c1
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| InChI |
InChI=1S/C15H13ClN4O3S/c16-14-7-13(4-5-15(14)23-24(17,21)22)12-3-1-2-11(6-12)8-20-10-18-9-19-20/h1-7,9-10H,8H2,(H2,17,21,22)
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| InChIKey |
KNULFZXZLBIFJX-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