PCS-499

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Synonyms
Status
Molecule Category Free-form
UNII FLV771E8ZV

Structure

InChI Key NSMXQKNUPPXBRG-WHPHVCHMSA-N
Smiles [2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N4O3
Molecular Weight 285.36
AlogP -0.02
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 82.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297371
DrugBank DB15122
FDA SRS FLV771E8ZV
PubChem 51041322
SureChEMBL SCHEMBL173235
CONTENTS