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Compound Detail

CHEMBL3138966

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CN(CCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138966
Phase Preclinical
Structure Type MOL
InChI Key BBSMIPQMHZIZKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.7
MW (Da)
5.97
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47N3O2
MW 493.74
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine