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Compound Detail

CHEMBL537519

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OC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537519
Phase Preclinical
Structure Type MOL
InChI Key IANAHQSGGKAAFD-HZPDHXFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.8
MW (Da)
2.27
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19ClN2O3
MW 322.79
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine