POLAPREZINC

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0WA1B15A1Z

Structure
InChI Key CQOVPNPJLQNMDC-ZETCQYMHSA-N
Smile NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N4O3
Molecular Weight 226.24
AlogP -1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 121.1
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEBI 15727
ChEMBL CHEMBL242948
DrugBank DB11695
EPA CompTox DTXSID80879594
FDA SRS 0WA1B15A1Z
Human Metabolome Database HMDB00033
Guide to Pharmacology 4559
KEGG C00386
PDB 8V0
PubChem 6992100
SureChEMBL SCHEMBL33769
ZINC ZINC000002040854
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