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Compound Detail

CHEMBL5222123

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CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222123
Phase Preclinical
Structure Type MOL
InChI Key YPAOZTCVMTXDID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
3.10
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N6OS
MW 428.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine