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Compound Detail

CHEMBL3939998

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COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)CCCCc2ccccc2)s1

Basic Information

ChEMBL ID CHEMBL3939998
Phase Preclinical
Structure Type MOL
InChI Key MMODYAGSYAJBBK-WWTZYMIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
5.67
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35F2NO4S
MW 519.65
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine