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Compound Detail

CHEMBL3039948

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CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL3039948
Phase Preclinical
Structure Type MOL
InChI Key OHBBJZGYFZSSDY-SSPYTLHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.1
MW (Da)
3.90
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36ClFN4O3
MW 519.06
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine