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Compound Detail

CHEMBL1229236

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CCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229236
Phase Preclinical
Structure Type MOL
InChI Key XBEQTCMAFQIDEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.6
MW (Da)
4.64
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36NO3+
MW 374.55
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine