MGS-0210

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 12XH8EKL2A

Structure
InChI Key SVZJNGHWEHDHLT-OUSKECTQSA-N
Smile CCCCCCCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(Cl)c(Cl)c3)[C@@](N)(C(=O)O)[C@@H]21
InChI
InChI=1S/C22H28Cl2FNO5/c1-2-3-4-5-6-9-30-20(29)21(25)14-11-17(22(26,18(14)21)19(27)28)31-12-13-7-8-15(23)16(24)10-13/h7-8,10,14,17-18H,2-6,9,11-12,26H2,1H3,(H,27,28)/t14-,17-,18+,21-,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28Cl2FNO5
Molecular Weight 476.37
AlogP 4.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 98.85
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 31.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594408
FDA SRS 12XH8EKL2A
SureChEMBL SCHEMBL2005242
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