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Compound Detail

CHEMBL3138788

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NCCCCCN1CCN(CCCCCCCOc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138788
Phase Preclinical
Structure Type MOL
InChI Key AIWHZHVUUXIGJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.6
MW (Da)
3.76
ALogP
4
HBA
1
HBD
41.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H39N3O
MW 361.57
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine