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Compound Detail

CHEMBL3961502

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CC1c2nnc(C(F)(F)F)n2C(C)(C)CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

Basic Information

ChEMBL ID CHEMBL3961502
Phase Preclinical
Structure Type MOL
InChI Key XZMNVUWKNAYZMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
4.22
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F4N6O2
MW 514.48
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine