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Compound Detail

CHEMBL5222324

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O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC(=O)N1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222324
Phase Preclinical
Structure Type MOL
InChI Key ROMHIQSFQAUVMM-OQBIKMBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
1.63
ALogP
6
HBA
3
HBD
95.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3
MW 403.44
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine