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Compound Detail

CHEMBL3990219

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COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990219
Phase Preclinical
Structure Type MOL
InChI Key BPADCCSYOOULLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.0
MW (Da)
4.83
ALogP
7
HBA
1
HBD
68.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN6O
MW 450.97
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine