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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL195
CHEMBL195
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H23NO3

Additional synonyms for CHEMBL195 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3
Standard InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16 ...
Download InChI
Standard InChI Key RKUNBYITZUJHSG-UIDSBSESSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL195

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
289.4 289.1678 1.93 4 49.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.98 1.38 -1.09 1 21 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL195. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RKUNBYITZUJHSG-UIDSBSESSA-N
Wikipedia Atropine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL195



LINCS LSM-43258
PubChem 6321299
PubChem: Thomson Pharma 14751270

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