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Compound Detail

CHEMBL5837422

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CC(C)(O)c1cc(O[C@H]2CC[C@@H](N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)nc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL5837422
Phase Preclinical
Structure Type MOL
InChI Key JKMHKJRBEGMJBK-OYRHEFFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

580.6
MW (Da)
4.78
ALogP
9
HBA
2
HBD
128.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31F3N8O2
MW 580.62
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine