General Information of the Compound
| Compound ID |
CP0434079
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| Compound Name |
[3-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethyl]-1-benzofuran-5-yl] sulfamate
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| Structure |
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| Formula |
C19H16N6O4S
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| Molecular Weight |
424.442
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| Canonical SMILES |
NS(=O)(=O)Oc1ccc2occ(CCN(c3ccc(cc3)C#N)n3cnnc3)c2c1
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| InChI |
InChI=1S/C19H16N6O4S/c20-10-14-1-3-16(4-2-14)25(24-12-22-23-13-24)8-7-15-11-28-19-6-5-17(9-18(15)19)29-30(21,26)27/h1-6,9,11-13H,7-8H2,(H2,21,26,27)
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| InChIKey |
MLFXPOYOMCTETM-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