POLDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB11
UNII: 8R92106W2F

Structure
InChI Key CQRKVVAGMJJJSR-UHFFFAOYSA-N
Smile C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26NO3+
Molecular Weight 340.44
AlogP 2.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135443
ChEMBL CHEMBL2110948
DrugBank DB13507
DrugCentral 2226
FDA SRS 8R92106W2F
PubChem 11018
SureChEMBL SCHEMBL1641786
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