Standard InChI: InChI=1S/C22H19Cl2N3O/c23-20-7-8-21(22(24)10-20)19(11-27-15-25-14-26-27)13-28-12-16-5-6-17-3-1-2-4-18(17)9-16/h1-10,14-15,19H,11-13H2
Standard InChI Key: SXCYTHAYFJSRTD-UHFFFAOYSA-N
Associated Targets(non-human)
Uromyces appendiculatus 31 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Ustilago maydis 75 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Pyrenophora teres 53 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Bipolaris maydis 114 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Fusarium graminearum 1554 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Oculimacula yallundae 312 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Cercospora beticola 433 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Botrytis cinerea 4183 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Podosphaera fuliginea 1057 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 412.32
Molecular Weight (Monoisotopic): 411.0905
AlogP: 5.74
#Rotatable Bonds: 7
Polar Surface Area: 39.94
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa: 2.05
CX LogP: 5.26
CX LogD: 5.26
Aromatic Rings: 4
Heavy Atoms: 28
QED Weighted: 0.39
Np Likeness Score: -1.12
References
1.Arnoldi A, Carzaniga R, Morini G, Merlini L, Farina G.. (2000) Synthesis, fungicidal activity, and QSAR of a series of 2-dichlorophenyl-3-triazolylpropyl ethers., 48 (6):[PMID:10888582][10.1021/jf9906432]
