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Compound Detail

CHEMBL4803147

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O=C(Nc1ccc(O[C@@H]2CCNC2)c(-c2cccc(-c3nn[nH]n3)c2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1

Basic Information

ChEMBL ID CHEMBL4803147
Phase Preclinical
Structure Type MOL
InChI Key KXQPCNGCWDVJCL-IZZNHLLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

623.7
MW (Da)
5.21
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H31F2N7O3
MW 623.66
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine