SEPIMOSTAT

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5ZFR16F4QQ

Structure

InChI Key QMRJOIUGPCVZPH-UHFFFAOYSA-N
Smiles NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1
InChI
InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19N5O2
Molecular Weight 373.15
AlogP 2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 112.59
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 103926-64-3
NORMAN SUSDAT
FDA SRS 5ZFR16F4QQ
CONTENTS