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Compound Detail

CHEMBL1204974

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CCCCc1nc(Cl)c(C(=O)OCC(=O)N(CC)CC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1

Basic Information

ChEMBL ID CHEMBL1204974
Phase Preclinical
Structure Type MOL
InChI Key XULRQBGGGZSOOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

589.1
MW (Da)
5.08
ALogP
9
HBA
1
HBD
123.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33ClN8O3
MW 589.10
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine