ORILOTIMOD

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q66Z43C5XM

Structure
InChI Key CATMPQFFVNKDEY-DGCLKSJQSA-N
Smile N[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O
InChI
InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O5
Molecular Weight 333.34
AlogP 0.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 145.51
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL3137306
EPA CompTox DTXSID10181511
FDA SRS Q66Z43C5XM
PubChem 7275810
SureChEMBL SCHEMBL733964
ZINC ZINC000004544883
CONTENTS