General Information of the Compound
| Compound ID |
CP0380336
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| Compound Name |
[2-chloro-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 |
C17H15ClN6O3S2
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| Molecular Weight |
450.933
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
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| InChI |
InChI=1S/C17H15ClN6O3S2/c18-16-9-15(5-6-17(16)27-29(20,25)26)28-8-7-24(23-11-21-22-12-23)14-3-1-13(10-19)2-4-14/h1-6,9,11-12H,7-8H2,(H2,20,25,26)
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| InChIKey |
JQAWXNMZMUUFPR-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