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Compound Detail

CHEMBL4595050

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N=C(NCCCCN1CCN(CCCCCCCOc2ccccc2)CC1)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL4595050
Phase Preclinical
Structure Type MOL
InChI Key OMKNTKPOTJGVLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.7
MW (Da)
4.73
ALogP
4
HBA
3
HBD
63.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H45N5O
MW 479.71
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine