General Information of the Compound
| Compound ID |
CP0374680
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| Compound Name |
[4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate
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| Structure |
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| Formula |
C16H15N7O3S
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| Molecular Weight |
385.409
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| Canonical SMILES |
Cn1nnc2ccc(cc12)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
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| InChI |
InChI=1S/C16H15N7O3S/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(6-3-11)26-27(17,24)25/h2-10,16H,1H3,(H2,17,24,25)
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| InChIKey |
SMRMFVJXCAYQJF-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