Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ID6YB4W3V8

Structure

InChI Key CEGSUKYESLWKJP-UHFFFAOYSA-N
Smile c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1
InChI
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20N4
Molecular Weight 328.42
AlogP 4.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 52.74
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2137530
DrugBank DB12027
EPA CompTox DTXSID30236830
FDA SRS ID6YB4W3V8
PubChem 11609586
SureChEMBL SCHEMBL3012498
ZINC ZINC000015965745