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Compound Detail

CHEMBL3828813

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CN(C/C=C/C1CCCCC1)Cc1ccc2c(c1)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828813
Phase Preclinical
Structure Type MOL
InChI Key QMUGPXBAVNMVEV-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
5.52
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33N
MW 311.51
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine