General Information of the Compound
| Compound ID |
CP0434077
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| Compound Name |
[4-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethylsulfanyl]phenyl] sulfamate
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| Structure |
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| Formula |
C17H16N6O3S2
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| Molecular Weight |
416.488
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
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| InChI |
InChI=1S/C17H16N6O3S2/c18-11-14-1-3-15(4-2-14)23(22-12-20-21-13-22)9-10-27-17-7-5-16(6-8-17)26-28(19,24)25/h1-8,12-13H,9-10H2,(H2,19,24,25)
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| InChIKey |
HUZOQLAYVLECGM-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