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Compound Detail

CHEMBL1206631

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CCCCc1nc(Cl)c(C(=O)Oc2ccc3c(c2)CCC3)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206631
Phase Preclinical
Structure Type MOL
InChI Key DAVRIYKEUVVUAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.1
MW (Da)
6.76
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H30ClN7O2
MW 592.10
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine