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Compound Detail

CHEMBL3039630

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c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCC2CCC(CC2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039630
Phase Preclinical
Structure Type MOL
InChI Key RQTUOCINKQDQES-NUOLXNBNSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.7
MW (Da)
6.08
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H38N4+2
MW 466.67
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine