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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL29811
CHEMBL29811
Compound Name CGP-37849
ChEMBL Synonyms CGP-37849
Max Phase 0
Trade Names
Molecular Formula C6H12NO5P

Additional synonyms for CHEMBL29811 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/C(N)C(=O)O)\CP(=O)(O)O
Standard InChI InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H ...
Download InChI
Standard InChI Key BDYHNCZIGYIOGJ-DUXPYHPUSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL29811. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL29811

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
209.1 209.0453 -3.36 4 130.66 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 9.08 -1.08 -4.73 0 13 0.28

Compound Cross References

ChemSpider ChemSpider:BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Wikipedia CGP-37849

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL29811



ACToR 127910-31-0 137424-81-8
eMolecules 27315364
Guide to Pharmacology 4154
MolPort MolPort-003-983-536
Nikkaji J2.376.673F
PubChem 5950212
PubChem: Thomson Pharma 15121141
SureChEMBL SCHEMBL1429152

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