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Compound Detail

CHEMBL3039884

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CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)c(F)c1

Basic Information

ChEMBL ID CHEMBL3039884
Phase Preclinical
Structure Type MOL
InChI Key VBROUQXNVNKODH-OEOAZWSVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

537.0
MW (Da)
4.03
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35ClF2N4O3
MW 537.05
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine