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Compound Detail

CHEMBL3714880

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CNCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3714880
Phase Preclinical
Structure Type MOL
InChI Key JNMRNGMETLCYPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.14
ALogP
7
HBA
3
HBD
108.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O2
MW 341.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine