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Compound Detail

CHEMBL1789469

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N=C(N)c1ccc(C#Cc2cc3ccc(C(=N)N)cc3[nH]2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789469
Phase Preclinical
Structure Type MOL
InChI Key DUBWNTIFFABCIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.53
ALogP
3
HBA
5
HBD
128.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N6
MW 302.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine