Synonyms
Status
Molecule Category Free-form
UNII 7V7IHI0SYG

Structure

InChI Key HJFSVYUFOXAVAA-YUAYGMJFSA-N
Smiles CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C
InChI
InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38N8O2
Molecular Weight 530.68
AlogP 3.13
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 126.28
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR PubMed

Target Conservation

Protein: Tyrosine-protein kinase receptor FLT3

Description: Receptor-type tyrosine-protein kinase FLT3

Organism : Homo sapiens

P36888 ENSG00000122025

Cross References

Resources Reference
CAS NUMBER 1472797-69-5
ChEMBL CHEMBL4650283
FDA SRS 7V7IHI0SYG