P

Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N939YFB9KP

Structure

InChI Key NSMXQKNUPPXBRG-VIFPVBQESA-N
Smile C[C@H](O)CCCCn1c(=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N4O3
Molecular Weight 280.33
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

Scaffolds

Cross References

Resources Reference
ChEBI 143564
ChEMBL CHEMBL4300766
FDA SRS N939YFB9KP
SureChEMBL SCHEMBL1495100
ZINC ZINC000011616910