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Compound Detail

CHEMBL3040030

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Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)C)CC1=O

Basic Information

ChEMBL ID CHEMBL3040030
Phase Preclinical
Structure Type MOL
InChI Key DSPBWNRCZFNAOE-LMNJBCLMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
2.44
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.55
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 C25H41FN4O3
MW 464.63
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine