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Compound Detail

CHEMBL3991331

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COc1cc(OCCF)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991331
Phase Preclinical
Structure Type MOL
InChI Key BKZXMPAAWRKKRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.52
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31FN6O2
MW 478.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine