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Compound Detail

CHEMBL18128

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c1nc(CN2CCCNCCNCCCNCC2)cnc1CN1CCCNCCNCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18128
Phase Preclinical
Structure Type MOL
InChI Key TXZXVRYOKBKTFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.8
MW (Da)
-0.79
ALogP
10
HBA
6
HBD
104.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H52N10
MW 504.77
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine