General Information of the Compound
| Compound ID |
CP0132473
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| Compound Name |
1H-indol-3-yl hydrogen sulfate
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| Structure |
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| Formula |
C8H7NO4S
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| Molecular Weight |
213.214
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| Canonical SMILES |
OS(=O)(=O)Oc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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| InChIKey |
BXFFHSIDQOFMLE-UHFFFAOYSA-N
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| CAS |
130385-38-5
1336-79-4
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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