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Compound Detail

CHEMBL3138801

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c1ccc(OCCCCCCCCCN2CCN(CCCCN3CCOCC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138801
Phase Preclinical
Structure Type MOL
InChI Key VMEHZVIJLHPSIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.7
MW (Da)
4.53
ALogP
5
HBA
0
HBD
28.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H47N3O2
MW 445.69
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine