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Compound Detail

CHEMBL537509

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N=C(NO)c1ccc(N2CCN(c3ccc(C(=N)NO)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537509
Phase Preclinical
Structure Type MOL
InChI Key PTMJCGAHFCCXHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.62
ALogP
6
HBA
6
HBD
118.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6O2
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine