Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 717I541I2R

Structure

InChI Key BAORCAMWLWRZQG-UHFFFAOYSA-N
Smile CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4
InChI
InChI=1S/C22H21N3O5/c1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26/h6-10,23H,4-5,11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21N3O5
Molecular Weight 407.43
AlogP 2.67
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 83.84
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL191958
FDA SRS 717I541I2R
SureChEMBL SCHEMBL241696
ZINC ZINC000006718458