ACEFYLLINE PIPERAZINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03DA09
UNII: 12I91IOS6Z

Structure
InChI Key HAAJFUJFGYCCPU-UHFFFAOYSA-N
Smile C1CNCCN1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
InChI
InChI=1S/2C9H10N4O4.C4H10N2/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h2*4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N10O8
Molecular Weight 562.54
AlogP -1.48
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 99.12
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106660
FDA SRS 12I91IOS6Z
PubChem 76959346
SureChEMBL SCHEMBL356114
CONTENTS