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Compound Detail

CHEMBL1615866

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COc1ccc(-c2c(-c3cc(N)c(OC)c(OC)c3)ncn2C)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1615866
Phase Preclinical
Structure Type MOL
InChI Key BJWUTUAGWWQLMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.07
ALogP
7
HBA
2
HBD
91.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O4
MW 355.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine