Structure

InChI Key JHDZMASHNBKTPS-UHFFFAOYSA-N
Smile Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChI
InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N5O
Molecular Weight 403.53
AlogP 3.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 76.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297489
DrugBank DB16182
FDA SRS 5TNV87ICD2
PubChem 16225380
SureChEMBL SCHEMBL4785187
ZINC ZINC000060328762