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Compound Detail

CHEMBL1181354

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CCCCCCN1CC=C(/C=C/c2cccc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181354
Phase Preclinical
Structure Type MOL
InChI Key XZDXRFOSCPUVPY-BUHFOSPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
6.07
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N
MW 319.49
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine