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Compound Detail

CHEMBL3304676

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

Basic Information

ChEMBL ID CHEMBL3304676
Phase Preclinical
Structure Type MOL
InChI Key JYDHYJSIIBNBOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
4.67
ALogP
9
HBA
1
HBD
87.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O3S2
MW 505.63
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine