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Compound Detail

CHEMBL3800725

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N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2cn[nH]c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3800725
Phase Preclinical
Structure Type MOL
InChI Key LCPDDJCFDOQTKN-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
2.18
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28F2N6O2
MW 494.55
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine