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Compound Detail

CHEMBL3138802

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CN(CCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1)CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138802
Phase Preclinical
Structure Type MOL
InChI Key FUSLGNYYXPZKPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.8
MW (Da)
6.76
ALogP
4
HBA
0
HBD
18.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H53N3O
MW 507.81
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine