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Compound Detail

CHEMBL1190107

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CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)c2c1=O

Basic Information

ChEMBL ID CHEMBL1190107
Phase Preclinical
Structure Type MOL
InChI Key CUPVMJGQJBLKFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

643.8
MW (Da)
7.46
ALogP
7
HBA
1
HBD
80.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H35F2N3O4S
MW 643.76
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine