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Compound Detail

CHEMBL3040017

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Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)Nc2cccnc2)C(C)C)CC1=O

Basic Information

ChEMBL ID CHEMBL3040017
Phase Preclinical
Structure Type MOL
InChI Key FKOWPCQVGTZLDK-FIXSFTCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
2.95
ALogP
6
HBA
3
HBD
111.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38FN5O3
MW 499.63
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine