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Compound Detail

CHEMBL3139409

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CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139409
Phase Preclinical
Structure Type MOL
InChI Key GUXOKTNDTLBAEY-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.0
MW (Da)
5.90
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN4O
MW 412.97
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine