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Compound Detail

CHEMBL141314

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Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2

Basic Information

ChEMBL ID CHEMBL141314
Phase Preclinical
Structure Type MOL
InChI Key ZUNUPLVDEOWLST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.8
MW (Da)
4.60
ALogP
8
HBA
1
HBD
68.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46N6O2
MW 534.75
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine