General Information of the Compound
| Compound ID |
CP0472239
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| Compound Name |
4-(((6-cyano-4'-methoxybiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate
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| Structure |
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| Formula |
C23H20N6O4S
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| Molecular Weight |
476.518
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1
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| InChI |
InChI=1S/C23H20N6O4S/c1-32-21-10-5-18(6-11-21)23-12-20(7-4-19(23)13-24)29(28-15-26-27-16-28)14-17-2-8-22(9-3-17)33-34(25,30)31/h2-12,15-16H,14H2,1H3,(H2,25,30,31)
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| InChIKey |
NGRUXADTVRQEHA-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