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Compound Detail

CHEMBL3040666

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N=C(NCCCCc1ccc(C(F)(F)F)cc1)SCCCN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040666
Phase Preclinical
Structure Type MOL
InChI Key RLQSEYDCCHGXGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.16
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.34
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 C20H30F3N3S
MW 401.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine