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Compound Detail

CHEMBL1739918

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CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(C)C)cc1

Basic Information

ChEMBL ID CHEMBL1739918
Phase Preclinical
Structure Type MOL
InChI Key IIDNHSRZGGCRIZ-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
7.05
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N4O
MW 472.68
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine