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Compound Detail

CHEMBL5499229

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c1cc2nc(CCCc3nc4ccc(C5=NCCN5)cc4s3)sc2cc1C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499229
Phase Preclinical
Structure Type MOL
InChI Key IXNZOXDIIXRAAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.78
ALogP
8
HBA
2
HBD
74.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6S2
MW 446.61
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine