MIRODENAFIL

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Synonyms
Status
Molecule Category Free-form
UNII 504G362H0H
EPA CompTox DTXSID50881265

Structure

InChI Key MIJFNYMSCFYZNY-UHFFFAOYSA-N
Smiles CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1
InChI
InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H37N5O5S
Molecular Weight 531.68
AlogP 2.45
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 120.76
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 37.0

Related Entries

Cross References

Resources Reference
ChEBI 136049
ChEMBL CHEMBL4297518
DrugBank DB11792
FDA SRS 504G362H0H
PubChem 135497803
SureChEMBL SCHEMBL3845775
ZINC ZINC000035077050
CONTENTS