ALTROPANE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1Q4092099O

Structure
InChI Key GTQLIPQFXVKRKJ-UNSMHXHVSA-N
Smile COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I
InChI
InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21FINO2
Molecular Weight 429.27
AlogP 3.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135696
ChEMBL CHEMBL4301492
DrugBank DB04947
DrugCentral 3292
FDA SRS 1Q4092099O
PubChem 6440180
SureChEMBL SCHEMBL1650069
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