Molecular Properties | |
SMILES: | O=C(Nc1cncc2c1CCCC2)C1CCNc2cc(Cl)c(Cl)cc21 |
MW: | 375.09 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.239394597914775 |
Order Status | |
Ordered: | 2021-03-02 |
Synthesis Location: | enamine |
Shipped: | 2021-03-31 |
DAR-DIA-06c53477-3
0.711
DAR-DIA-06c53477-2
0.711
DAR-DIA-06c53477-1
0.711
ALF-EVA-a24cc7ce-3
0.628
ALF-EVA-82cf4849-9
0.562
ALP-UNI-8d415491-1
0.545
EDJ-MED-ee742daa-2
0.545
ALP-UNI-8d415491-3
0.544
BEN-DND-f06bfa8e-6
0.543
ALP-UNI-3735e77e-4
0.533
MAT-POS-f9802937-8
0.533
MAT-POS-78e1d523-5
0.533
MAT-POS-f9802937-9
0.533
MAT-POS-78e1d523-6
0.533
EDJ-MED-611d11e7-11
0.533
ALP-UNI-8d415491-4
0.533
EDJ-MED-611d11e7-5
0.516
ALP-UNI-8d415491-6
0.516
MAT-POS-ec6d90b7-5
0.516
ALF-EVA-82cf4849-7
0.515
BEN-DND-f06bfa8e-1
0.510
ALF-EVA-82cf4849-10
0.510
ALF-EVA-82cf4849-6
0.505
ALF-EVA-b701bd13-1
0.500
ALF-EVA-b701bd13-2
0.500
ALP-UNI-8d415491-5
0.495
MAT-POS-96f51285-6
0.495
EDJ-MED-611d11e7-2
0.495
EDJ-MED-611d11e7-8
0.495
MAT-POS-ec6d90b7-6
0.495
DAR-DIA-06c53477-5
0.485
DAR-DIA-06c53477-4
0.485
DAR-DIA-06c53477-6
0.485
BEN-DND-d1eb1f41-1
0.475
BEN-DND-d1eb1f41-5
0.475
MIK-UNK-78dbf1b8-1
0.460
MIK-UNK-58cd43d0-1
0.460
ALP-POS-4483ae88-4
0.460
BEN-DND-d1eb1f41-2
0.456
ALP-POS-e6e0c683-3
0.455
ALF-EVA-b701bd13-5
0.444
MAT-POS-500f4700-2
0.439
DAV-ILL-edda7d6f-1
0.439
BEN-DND-02317c5c-5
0.439
JUL-TUD-06b2044f-49
0.436
ALP-POS-fe871b40-10
0.426
ALP-UNI-ba800595-2
0.426
ALP-POS-4483ae88-3
0.418
EDJ-MED-c7fc9efa-1
0.416
ALF-EVA-82cf4849-1
0.416
DAV-ILL-89eb723b-1
0.410
ALF-EVA-82cf4849-2
0.404
EDJ-MED-a364e151-1
0.394
DAV-ILL-03f0d021-1
0.392
EDJ-MED-c7fc9efa-2
0.381
ALP-POS-bb8a3193-2
0.369
ALP-POS-df536be7-2
0.365
PET-UNK-b1ef24dc-11
0.365
ALF-EVA-b701bd13-6
0.358
DAR-DIA-0cde14eb-36
0.356
BEN-DND-c852c98b-10
0.355
BEN-DND-a7517465-8
0.355
DAR-DIA-0cde14eb-32
0.353
ALF-EVA-b701bd13-4
0.353
EDJ-MED-92e193ae-2
0.352
ALP-POS-477dc5b7-2
0.352
EDJ-MED-92e193ae-1
0.352
MIC-UNK-91acba05-5
0.352
PET-UNK-b1ef24dc-9
0.352
NAU-LAT-b7d8c353-2
0.352
PET-UNK-b1ef24dc-10
0.349
PET-UNK-b1ef24dc-12
0.349
ALP-POS-5fe48310-1
0.349
MIK-ENA-5d9157e9-5
0.349
MIK-ENA-5d9157e9-6
0.349
PET-UNK-e274cad4-9
0.346
BEN-DND-02317c5c-7
0.346
PET-UNK-7f7e354d-2
0.346
DAR-DIA-0cde14eb-31
0.343
DAR-DIA-0cde14eb-33
0.343
DAR-DIA-0cde14eb-35
0.343
DAR-DIA-0cde14eb-38
0.343
DAR-DIA-0cde14eb-37
0.343
DAR-DIA-0cde14eb-41
0.343
PET-UNK-e274cad4-4
0.343
DAR-DIA-0cde14eb-34
0.340
BEN-DND-a7517465-10
0.340
BEN-DND-c852c98b-8
0.340
DAR-DIA-0cde14eb-39
0.337
ALP-POS-e6e0c683-1
0.336
ALP-POS-bb8a3193-1
0.333
DAR-DIA-0cde14eb-40
0.333
BEN-DND-d1eb1f41-10
0.330
MAT-POS-86c60949-2
0.330
DAR-DIA-0cde14eb-45
0.330
DAR-DIA-0cde14eb-42
0.330
DAR-DIA-0cde14eb-44
0.330
ALP-POS-93b3621f-2
0.327
VLA-UNK-8e76d113-2
0.327
MAT-POS-199e2e7c-1
0.327