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Compound Detail

CHEMBL2109794

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O=C(O)CN1C(=O)[C@H](N[C@@H](CCc2ccccc2)C(=O)O)CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2109794
Phase Preclinical
Structure Type MOL
InChI Key YGBQDZYXUTUTOQ-MOPGFXCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.48
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O5
MW 410.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine