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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7160
CHEMBL7160
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13NO3

Additional synonyms for CHEMBL7160 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Standard InChI InChI=1S/C10H13NO3/c11-7-3-1-6-5(9(7)13)2-4-8(12)10(6)14/h2, ...
Download InChI
Standard InChI Key RJQPTDPYKKHYSV-VXNVDRBHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7160

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
195.2 195.0895 0.4 0 86.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.17 - -.71 -2.51 1 14 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL7160. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJQPTDPYKKHYSV-VXNVDRBHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7160



BindingDB 50000503
Nikkaji J468.451F
PubChem 12353620

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RJQPTDPYKKHYSV-VXNVDRBHSA-N spacer
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