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Compound Detail

CHEMBL4117410

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Cc1ccc(CNC2CCc3c([nH]c4ccc(C)cc34)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117410
Phase Preclinical
Structure Type MOL
InChI Key AFFQMZPQNXVNGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.43
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2
MW 304.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine