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Compound Detail

CHEMBL4650900

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CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2N2CCN(c3ccc(-c4[nH]c5cc(F)cc6c5c4CCNC6=O)cc3)CC2)C(C)(C)c2ccccc21

Basic Information

ChEMBL ID CHEMBL4650900
Phase Preclinical
Structure Type MOL
InChI Key RSRTTZBORITYIA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

812.1
MW (Da)
10.32
ALogP
4
HBA
2
HBD
57.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H56FN6O+
MW 812.07
Aromatic Rings 5
Heavy Atoms 61
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine