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Compound Detail

CHEMBL2078791

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N#Cc1cccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078791
Phase Preclinical
Structure Type MOL
InChI Key RUWBTIZNEFLZEZ-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.26
ALogP
5
HBA
4
HBD
120.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N5O2S
MW 369.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.66

Data from ChEMBL 36 via Core Engine