Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PVU92PZO12

Structure

InChI Key KTMLZVUAXJERAT-UHFFFAOYSA-N
Smile COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl
InChI
InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30ClN5O3
Molecular Weight 423.95
AlogP 0.72
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 71.74
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Aneurysm, Dissecting 1 D000784 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1256716
EPA CompTox DTXSID2045812
FDA SRS PVU92PZO12
PubChem 167980
SureChEMBL SCHEMBL1321654