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Compound Detail

CHEMBL5498785

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c1cc2nc(CCCCCCc3nc4ccc(C5=NCCCN5)cc4s3)sc2cc1C1=NCCCN1

Basic Information

ChEMBL ID CHEMBL5498785
Phase Preclinical
Structure Type MOL
InChI Key PKFIIEMGPXCIRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.7
MW (Da)
5.73
ALogP
8
HBA
2
HBD
74.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N6S2
MW 516.74
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine