Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7R7G6EH5UL

Structure

InChI Key DRLCSJFKKILATL-YWCVFVGNSA-N
Smile CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
InChI
InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H35Cl2NO5S
Molecular Weight 568.56
AlogP 6.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 91.75
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3125702
DrugBank DB15299
FDA SRS 7R7G6EH5UL
Guide to Pharmacology 11133
PubChem 58573469
SureChEMBL SCHEMBL9993310
ZINC ZINC000103248035