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Compound Detail

CHEMBL3991149

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O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991149
Phase Preclinical
Structure Type MOL
InChI Key RHELVXGNWNTPJF-VVONHTQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
6.22
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2N3O3S
MW 478.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine