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Compound Detail

CHEMBL3305003

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CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3scc(-c4cccc(OCCN5CCCCC5)c4)c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3305003
Phase Preclinical
Structure Type MOL
InChI Key YJZVDUMLAPUIJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.7
MW (Da)
5.59
ALogP
9
HBA
1
HBD
87.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O3S2
MW 545.69
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.50

Data from ChEMBL 36 via Core Engine