Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(Cl)cc2N1 |
MW: | 385.04 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.275841781976373 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
VLA-UNK-56836b69-1
1.000
MIC-UNK-8758c41d-3
1.000
ALP-POS-fe871b40-15
0.790
ALF-EVA-b701bd13-6
0.756
MAT-POS-43c25e9b-1
0.711
MIC-UNK-45817b9b-1
0.711
MAT-POS-43c25e9b-2
0.711
EDJ-MED-a6bd50ad-1
0.711
MAT-POS-8d5af1ef-1
0.671
VLA-UNK-9a7dc93f-3
0.663
ALF-EVA-b701bd13-4
0.663
MAT-POS-f39f51fd-1
0.632
MAT-POS-78e1d523-6
0.621
ALP-UNI-3735e77e-4
0.621
MAT-POS-f9802937-8
0.621
MAT-POS-78e1d523-5
0.621
MAT-POS-f9802937-9
0.621
ALP-POS-fe871b40-14
0.618
ALF-EVA-b701bd13-5
0.607
ALP-POS-fe871b40-13
0.581
MIC-UNK-8758c41d-2
0.567
BEN-DND-a02b439d-14
0.556
MAR-UCB-6ab2ec87-1
0.527
ALF-EVA-b701bd13-3
0.527
RYA-UNI-6d7114fd-1
0.522
RAL-THA-05e671eb-2
0.522
ALP-POS-869ac754-1
0.522
BEN-DND-34fc7f90-8
0.521
ALF-EVA-82cf4849-1
0.521
BEN-DND-a02b439d-15
0.521
ALF-EVA-82cf4849-2
0.521
VLA-UNK-8e76d113-2
0.521
MIC-UNK-8758c41d-1
0.516
ALP-UNI-ba800595-2
0.516
MIC-UNK-45817b9b-2
0.516
ALP-POS-fe871b40-10
0.516
BEN-BAS-c2bc0d80-4
0.511
DAR-DIA-9f765dc6-2
0.511
DAR-DIA-9f765dc6-5
0.511
DAR-DIA-9f765dc6-6
0.511
FRA-DIA-0fa076fe-2
0.505
PET-UNK-c0891748-6
0.505
PET-UNK-c0891748-12
0.505
BEN-DND-a02b439d-2
0.495
ALF-EVA-82cf4849-5
0.495
ROB-UNI-322e8f70-3
0.495
ALP-POS-477dc5b7-2
0.495
MIC-UNK-91acba05-5
0.495
MAT-POS-865c3497-1
0.495
MAT-POS-865c3497-2
0.495
EDJ-MED-92e193ae-2
0.495
MAT-POS-22e8b45a-1
0.495
MIC-UNK-91acba05-1
0.495
EDJ-MED-92e193ae-1
0.495
BEN-BAS-c2bc0d80-1
0.495
FRA-DIA-b66f7109-1
0.490
BEN-DND-a02b439d-3
0.490
BEN-DND-a02b439d-1
0.490
VLA-UNK-8e76d113-1
0.490
ROB-UNI-611831f5-2
0.490
ROB-UNI-322e8f70-2
0.490
ALP-POS-ce760d3f-1
0.490
ALP-POS-fe871b40-6
0.490
FRA-DIA-c7e803f4-1
0.489
FRA-DIA-0fa076fe-1
0.489
EDJ-MED-12c4873b-8
0.485
EDJ-MED-43f8f7d6-8
0.485
RAL-THA-8f106089-1
0.485
RAL-THA-8f106089-2
0.485
MAT-POS-dd3ad2b5-1
0.485
DAR-DIA-9f765dc6-1
0.485
DAR-DIA-9f765dc6-3
0.485
BEN-DND-f2e727cd-6
0.485
DAR-DIA-9f765dc6-4
0.485
ALP-UNI-ba800595-1
0.484
BEN-DND-f2e727cd-5
0.484
EDJ-MED-12f7f543-1
0.484
MAT-POS-d8472c4f-5
0.484
PET-UNK-c0891748-8
0.484
RAL-THA-05e671eb-25
0.484
ALP-POS-fe871b40-5
0.484
MAT-POS-3ccb8ef6-1
0.484
MAT-POS-3ccb8ef6-2
0.484
PET-UNK-c0891748-2
0.484
ALP-POS-869ac754-2
0.484
ALP-UNI-c3ef0aba-1
0.484
PET-UNK-022eab87-1
0.479
MAR-UCB-6ab2ec87-4
0.479
FRA-DIA-b66f7109-2
0.476
FRA-DIA-b66f7109-4
0.476
MAT-POS-af1eef35-3
0.474
BEN-DND-d6f8d3c6-1
0.474
EDJ-MED-e18764cb-2
0.474
ALP-POS-a577c8a2-1
0.474
EDJ-MED-eb111c00-1
0.474
MAT-POS-2e8b2191-3
0.474
MIC-UNK-91acba05-2
0.474
RAL-THA-05e671eb-21
0.473
EDJ-MED-12c115cc-2
0.473
EDJ-MED-12c115cc-1
0.473