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Compound Detail

CHEMBL5221210

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Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1

Basic Information

ChEMBL ID CHEMBL5221210
Phase Preclinical
Structure Type MOL
InChI Key BIJXMFDKONGOAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

662.9
MW (Da)
4.85
ALogP
8
HBA
8
HBD
236.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N12O2S2
MW 662.85
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine