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Compound Detail

CHEMBL1852025

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CC1(C)CCC[C@]2(C)[C@H]3CC/C(=C\OS(=O)(=O)O)[C@H](CCC4=CCNC4=O)[C@@]3(C)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL1852025
Phase Preclinical
Structure Type MOL
InChI Key MFNDFSXRNQJSDX-VUVIDIKTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.7
MW (Da)
5.19
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H39NO5S
MW 465.66
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.94

Data from ChEMBL 36 via Core Engine