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Compound Detail

CHEMBL5498543

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N=C(N)c1ccc2nc(CCCCCc3nc4ccc(C(=N)N)cc4s3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498543
Phase Preclinical
Structure Type MOL
InChI Key YHJDALBWZNHFJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
4.43
ALogP
6
HBA
4
HBD
125.5
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6S2
MW 422.58
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine