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Compound Detail

CHEMBL1207376

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CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207376
Phase Preclinical
Structure Type MOL
InChI Key XMAQUFUGFLDCBG-VSGBNLITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.7
MW (Da)
5.69
ALogP
6
HBA
5
HBD
149.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H37FN2O7
MW 616.69
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine