General Information of the Compound
| Compound ID |
CP0374817
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| Compound Name |
[4-[3-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]propylsulfanyl]phenyl] sulfamate
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| Structure |
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| Formula |
C18H18N6O3S2
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| Molecular Weight |
430.515
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc(SCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
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| InChI |
InChI=1S/C18H18N6O3S2/c19-12-15-2-4-16(5-3-15)24(23-13-21-22-14-23)10-1-11-28-18-8-6-17(7-9-18)27-29(20,25)26/h2-9,13-14H,1,10-11H2,(H2,20,25,26)
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| InChIKey |
ASTHETADXNXYKI-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