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Compound Detail

CHEMBL1178020

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Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(c3ccccn3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178020
Phase Preclinical
Structure Type MOL
InChI Key ZVBDCXMMMNDDKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.0
MW (Da)
5.11
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClN3O
MW 436.00
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine