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Compound Detail

CHEMBL5221877

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O=C(CO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Nc2ccccc2/1)NC1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221877
Phase Preclinical
Structure Type MOL
InChI Key VNPQWISOXDFPJC-PZQSTSETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.9
MW (Da)
2.72
ALogP
6
HBA
4
HBD
103.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN5O3
MW 451.91
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine