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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615355
CHEMBL1615355
Compound Name
ChEMBL Synonyms Hypoglycin-A
Max Phase 0
Trade Names
Molecular Formula C7H11NO2

Additional synonyms for CHEMBL1615355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](C[C@H]1CC1=C)C(=O)O
Standard InChI InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9 ...
Download InChI
Standard InChI Key OOJZCXFXPZGUBJ-RITPCOANSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL1615355. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1615355

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
141.2 141.079 -2.25 3 63.31 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.26 9.52 .41 -2.1 0 10 0.44

Compound Cross References

ChemSpider ChemSpider:OOJZCXFXPZGUBJ-RITPCOANSA-N
Wikipedia Hypoglycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615355



eMolecules 36753520
FDA SRS 7GB7U7M282
IBM Patent System 583A2FAF575F6A2145DE68523A6CB9FD
IBM Patents WO2006024488A2 US7709049 EP1469816A2 WO2006023130A2 USRE40722 EP1819373A2 US4432985 US20060140953 US5990094 WO2008039749A2 EP2037977A2 US20050020682 US20050158449 US20040039032 EP1877047A2 WO1990005721A1 US20070101933 US20070032383 WO2009044202A1 US20100260846 EP1789107B1 EP1789030A2 US20090258064 WO2006110366A1 US20090324682 US20040131568 US4638045 WO2008002657A2 WO2006118821A2 US20060034891 US20070054127 WO2004111199A2 EP1789107A2 US20030202950 WO2006024490A2 EP0308983A2 WO2008088593A2 WO2006024491A1 US20040198821 US5245046 EP2242520A2 EP1651207A2 US7777066 US20080171087 US7045547 US20070128343 EP2037882A2 WO2006031532A2 WO2010118238A2 WO2005070126A2 WO2010009122A1 EP1893144A1 US20090186059 US7669548 US7160921 US20060088653 US20080075779 US20100330087 WO2007059144A1 WO2010008554A2 WO2009105230A2 EP0375133A1 US7510710 WO2003063810A2 WO2006024492A2 US20070254037 US20080038354 US20100286073 WO2006047616A1 US20070026037 US3957760 WO2006063021A2 US20060120971 US20100008966 US20050196424 US20100166829 US7125577 US20070105823 WO2010118213A2 WO2009126830A2 EP1789029A2 US20090263449 US20100292668 WO2008022258A2 WO2007025059A1 WO2006047617A1 US20090280181 US20060134168 US20070292478 US20100093686 WO2006024489A2 US20100260850 WO2007016405A2 EP1804977A1 US20080020045 EP2205229A1 US20080075753 WO2010150100A1 US20030153619 EP1912684A2
Nikkaji J85.271F
PubChem 40468186 11768666
PubChem: Thomson Pharma 16877080
SureChEMBL SCHEMBL476273
ZINC ZINC03876008

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