etrasimod (Velsipity) Report issue

Small molecule Approved FDA

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Chemistry

Mol. Mass

457.49

ALogP

6.93

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21
  • InChIKey: MVGWUTBTXDYMND-QGZVFWFLSA-N
    InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3358920   ChEMBL
etrasimod *

CHEMBL3989933   ChEMBL
etrasimod arginine

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