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Compound Detail

CHEMBL1180454

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COc1ccccc1N1CCN(CCCNC(=O)Cc2cccc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180454
Phase Preclinical
Structure Type MOL
InChI Key DPOUSVNUKWQWOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
3.72
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O2
MW 417.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine