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Compound Detail

CHEMBL298131

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CCCCN(CCCC)CCCOc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298131
Phase Preclinical
Structure Type MOL
InChI Key SIHBANZISIDDII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
8.17
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33F3N2OS
MW 490.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine