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Compound Detail

CHEMBL2219881

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CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)S

Basic Information

ChEMBL ID CHEMBL2219881
Phase Preclinical
Structure Type MOL
InChI Key HJJRGAUEVIXZEC-XOPCJJJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.8
MW (Da)
5.87
ALogP
6
HBA
1
HBD
43.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N2O4S2
MW 556.79
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.56

Data from ChEMBL 36 via Core Engine