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Compound Detail

CHEMBL1194149

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CNC1CC(c2ccc(Br)cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194149
Phase Preclinical
Structure Type MOL
InChI Key UUESRGBQJQQURV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)
4.25
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16BrN
MW 302.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine