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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL112203
CHEMBL112203
Compound Name
ChEMBL Synonyms CGP-27492
Max Phase 0
Trade Names
Molecular Formula C3H10NO2P

Additional synonyms for CHEMBL112203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCP(=O)O
Standard InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
Standard InChI Key ZTHNRNOOZGJLRR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL112203

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
123.1 123.0449 -0.88 3 86.79 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.8 10.37 -2.89 -5.39 0 7 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL112203. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZTHNRNOOZGJLRR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL112203



BindingDB 24184
IBM Patent System 968AFCC9997C859325F746EEBEF6F451
MolPort MolPort-019-939-257
Nikkaji J326.129H
PubChem 121956
PubChem: Thomson Pharma 15486542
SureChEMBL SCHEMBL341549

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