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Compound Detail

CHEMBL4802974

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Clc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL4802974
Phase Preclinical
Structure Type MOL
InChI Key CBJMJCYJEQFXKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
5.21
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN2
MW 332.83
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine