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Compound Detail

CHEMBL1739092

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COc1cc2ncnc(NCCN3CCOCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739092
Phase Preclinical
Structure Type MOL
InChI Key KKMFTZWOYHIHOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.39
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N4O3
MW 318.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.33

Data from ChEMBL 36 via Core Engine