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Compound Detail

CHEMBL1191677

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CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C(C)COc2ccccc2)C1c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1191677
Phase Preclinical
Structure Type MOL
InChI Key VUBWIAJSRQTELD-SOYKGTTHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
4.79
ALogP
9
HBA
1
HBD
123.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N3O7
MW 523.59
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine