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Compound Detail

CHEMBL3040000

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C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C

Basic Information

ChEMBL ID CHEMBL3040000
Phase Preclinical
Structure Type MOL
InChI Key FXPKMZCASOQWPK-KPFFTGBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.1
MW (Da)
2.64
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 C24H39ClN4O3
MW 467.05
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine