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Compound Detail

CHEMBL155439

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COc1cc2c(cc1OC)CN(CC1=NCCN1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155439
Phase Preclinical
Structure Type MOL
InChI Key VNHFMAABJYHKNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
1.06
ALogP
5
HBA
1
HBD
46.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O2
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine