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Compound Detail

CHEMBL3140243

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COc1cccc(/C=C/C[n+]2c(C)c(P(=S)(c3ccccc3)c3ccccc3)n3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3140243
Phase Preclinical
Structure Type MOL
InChI Key OXKDIDCYEMETCE-WYMLVPIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.01
ALogP
3
HBA
0
HBD
17.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2OPS+
MW 495.61
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine