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Compound Detail

CHEMBL3990420

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COc1cc(OC)cc(N(CCN2C[C@H](C)C[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990420
Phase Preclinical
Structure Type MOL
InChI Key GBQFDLUVJIOITM-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
5.16
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N6O2
MW 500.65
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine