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Compound Detail

CHEMBL4302354

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Clc1ccc2c(NCCCN3CCN(CCCNCCC45CC6CC(CC(C6)C4)C5)CC3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302354
Phase Preclinical
Structure Type MOL
InChI Key YMPBTRKUOLWWSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.2
MW (Da)
5.89
ALogP
5
HBA
2
HBD
43.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46ClN5
MW 524.20
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine