General Information of the Compound
| Compound ID |
CP0429111
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| Compound Name |
[3-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethyl]-1-methylindol-5-yl] sulfamate
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| Structure |
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| Formula |
C20H19N7O3S
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| Molecular Weight |
437.485
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| Canonical SMILES |
Cn1cc(CCN(c2ccc(cc2)C#N)n2cnnc2)c2cc(OS(N)(=O)=O)ccc12
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| InChI |
InChI=1S/C20H19N7O3S/c1-25-12-16(19-10-18(6-7-20(19)25)30-31(22,28)29)8-9-27(26-13-23-24-14-26)17-4-2-15(11-21)3-5-17/h2-7,10,12-14H,8-9H2,1H3,(H2,22,28,29)
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| InChIKey |
DBWPLISNGRLIEQ-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