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Compound Detail

CHEMBL1194072

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(/N=C/N(C)c4ccccc4)cccc3nc2-1

Basic Information

ChEMBL ID CHEMBL1194072
Phase Preclinical
Structure Type MOL
InChI Key JUIJGNIWJYZZMF-ZZYREXKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.88
ALogP
7
HBA
1
HBD
97.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N4O4
MW 480.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine