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Compound Detail

CHEMBL1187773

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CN1C2CCC1[C@@H](c1cc(Cc3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187773
Phase Preclinical
Structure Type MOL
InChI Key JRHKJAOHZVVZDT-JGXXCWGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
6.31
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24Cl2N2O
MW 427.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine