DS-1001A

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure
InChI Key BOOMBLZEOHXPPX-BQYQJAHWSA-N
Smile Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12
InChI
InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H18Cl3FN2O4
Molecular Weight 535.79
AlogP 7.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 85.33
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4651002
CONTENTS