VENGLUSTAT MALATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 94855LQZ8D

Structure
InChI Key SQXUKOJKIWCALK-PKLMIRHRSA-N
Smile CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1.O=C(O)CC(O)C(=O)O
InChI
InChI=1S/C20H24FN3O2S.C4H6O5/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24;5-2(4(8)9)1-3(6)7/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)/t16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30FN3O7S
Molecular Weight 523.58
AlogP 4.0
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.46
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594270
FDA SRS 94855LQZ8D
PubChem 60199241
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