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Compound Detail

CHEMBL1181446

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C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c(F)c1

Basic Information

ChEMBL ID CHEMBL1181446
Phase Preclinical
Structure Type MOL
InChI Key ADHIJUMDBNRZOS-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

623.6
MW (Da)
1.82
ALogP
9
HBA
6
HBD
219.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30FN5O9
MW 623.59
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine