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Compound Detail

CHEMBL36416

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Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36416
Phase Preclinical
Structure Type MOL
InChI Key VXVHNAFGHKJICZ-JKSUJKDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.38
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO2
MW 281.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine