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Compound Detail

CHEMBL1975000

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Nc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n12)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1975000
Phase Preclinical
Structure Type MOL
InChI Key QPDPRWXZGBRPQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
4.75
ALogP
7
HBA
1
HBD
69.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN5S2
MW 401.95
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.53

Data from ChEMBL 36 via Core Engine