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Compound Detail

CHEMBL2251445

S-METOLACHLOR
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CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2251445
Name S-METOLACHLOR
Phase Preclinical
Structure Type MOL
InChI Key WVQBLGZPHOPPFO-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

283.8
MW (Da)
3.16
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22ClNO2
MW 283.80
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2007.03.006 Brassica oleracea var. capitata 48
- 10.1016/j.cropro.2009.05.011 Phaseolus vulgaris 22
- 10.1016/j.cropro.2005.08.002 Phaseolus vulgaris 13
- 10.1016/j.cropro.2007.04.012 Eleusine indica 6
- 10.1016/j.cropro.2007.04.012 Digitaria 6
- 10.1016/j.cropro.2007.04.012 Echinochloa colona 6
- 10.1016/j.cropro.2007.04.012 Amaranthus dubius 6
- 10.1016/j.cropro.2007.04.012 Boerhavia erecta 6
- 10.1016/j.cropro.2007.04.012 Corynandra viscosa 6
- 10.1016/j.cropro.2007.04.012 Portulaca oleracea 6
- 10.1016/j.cropro.2007.04.012 Trianthema 6
- 10.1016/j.cropro.2007.04.012 Cyperus 2
- 10.1016/j.cropro.2007.04.012 Poaceae 2
- 10.1584/jpestics.D11-055 Clonostachys rosea 2
- 10.1016/j.cropro.2006.05.002 Phaseolus vulgaris 1
- 10.1016/j.cropro.2006.08.014 Phaseolus vulgaris 1

Data from ChEMBL 36 via Core Engine