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Compound Detail

CHEMBL1184969

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Oc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)N(CC1CCC1)CC3

Basic Information

ChEMBL ID CHEMBL1184969
Phase Preclinical
Structure Type MOL
InChI Key YSTAPDGDOHWKQR-LLQWEQGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
4.25
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.88
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 C21H29NO
MW 311.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.03

Data from ChEMBL 36 via Core Engine