Molecular Properties | |
SMILES: | C[C@@H]1COc2ccc(Cl)cc2[C@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 35.1263570604639 |
Order Status | |
Shipped: | 2020-10-13 |
EDJ-MED-e4b030d8-11
1.000
MAT-POS-8a69d52e-4
1.000
ADA-UCB-dc2b944c-14
1.000
MAT-POS-8a69d52e-6
1.000
ADA-UCB-dc2b944c-13
1.000
BRU-THA-01b12488-1
1.000
MAT-POS-8a69d52e-5
1.000
ALF-EVA-5b152d2f-6
0.750
DAR-DIA-0d514e7d-8
0.738
DAR-DIA-0d514e7d-11
0.738
BEN-BAS-5c03e89e-1
0.718
ROB-UNI-8bf7c232-1
0.694
MAK-UNK-8be7dca9-3
0.690
DAR-DIA-0d514e7d-34
0.687
DAR-DIA-0d514e7d-35
0.687
EDJ-MED-e4b030d8-6
0.685
MAT-POS-f7918075-2
0.643
EDJ-MED-12c115cc-2
0.643
MAT-POS-bbbbc21a-2
0.643
EDJ-MED-12c115cc-1
0.643
DAR-DIA-0d514e7d-7
0.624
DAR-DIA-0d514e7d-1
0.620
DAR-DIA-0d514e7d-2
0.620
DAR-DIA-0d514e7d-3
0.618
ADA-UCB-dc2b944c-15
0.618
DAR-DIA-0d514e7d-9
0.613
DAR-DIA-0d514e7d-19
0.613
DAR-DIA-0d514e7d-33
0.611
DAR-DIA-0d514e7d-17
0.611
DAR-DIA-0d514e7d-6
0.606
DAR-DIA-0d514e7d-15
0.602
MAT-POS-2e8b2191-2
0.600
DAR-DIA-0d514e7d-24
0.600
ADA-UCB-dc2b944c-16
0.600
DAR-DIA-0d514e7d-16
0.598
DAR-DIA-0d514e7d-13
0.594
DAR-DIA-0d514e7d-18
0.594
DAR-DIA-0d514e7d-23
0.594
DAR-DIA-0d514e7d-12
0.592
VLA-UCB-1dbca3b4-16
0.589
DAR-DIA-0d514e7d-14
0.586
DAR-DIA-0d514e7d-5
0.582
DAR-DIA-0d514e7d-4
0.582
MAT-POS-b3e365b9-2
0.578
MAT-POS-b3e365b9-1
0.578
MAT-POS-f7918075-1
0.578
VLA-UCB-1dbca3b4-15
0.578
DAR-DIA-0d514e7d-36
0.578
DAR-DIA-0d514e7d-22
0.570
DAR-DIA-0d514e7d-20
0.570
DAR-DIA-5ff57136-1
0.567
DAR-DIA-5ff57136-2
0.567
PET-UNK-c0891748-6
0.565
PET-UNK-c0891748-12
0.565
DAR-DIA-0d514e7d-21
0.564
EDJ-MED-e4b030d8-12
0.560
MAT-POS-8e4737f4-2
0.560
MAT-POS-8a69d52e-1
0.559
ALF-EVA-5b152d2f-1
0.559
EDJ-MED-e4b030d8-2
0.559
MAT-POS-8a69d52e-2
0.559
ALP-POS-d3acb8cc-4
0.559
EDJ-MED-e4b030d8-3
0.559
ALP-POS-d3acb8cc-1
0.559
ALP-POS-d3acb8cc-2
0.559
ALP-POS-d3acb8cc-3
0.559
MAT-POS-8a69d52e-3
0.559
DAR-DIA-0d514e7d-10
0.559
MAR-UCB-6ab2ec87-2
0.556
MAT-POS-777f5926-1
0.548
MAT-POS-2e8b2191-3
0.548
MAT-POS-22e8b45a-4
0.548
BEN-BAS-5c03e89e-2
0.537
PET-UNK-c0891748-4
0.532
PET-UNK-c0891748-10
0.532
RAL-THA-c9f97604-1
0.531
DAR-DIA-0d514e7d-29
0.531
DAR-DIA-0d514e7d-28
0.531
RAL-THA-c9f97604-2
0.526
MAK-UNK-8be7dca9-10
0.521
ALF-EVA-ced740bd-4
0.516
LUO-POS-868e8996-14
0.511
MAT-POS-66a736cf-1
0.511
MIC-UNK-91acba05-3
0.511
LUO-POS-868e8996-13
0.511
BEN-DND-f2e727cd-4
0.511
ALP-UNI-c3ef0aba-2
0.511
PET-UNK-022eab87-1
0.505
DAR-DIA-70d163b2-3
0.505
EDG-MED-fe7487f8-2
0.505
EDG-MED-4b32601a-1
0.505
BEN-BAS-c2bc0d80-1
0.505
MAT-POS-43c25e9b-1
0.505
MIC-UNK-45817b9b-1
0.505
EDJ-MED-a6bd50ad-1
0.505
MAT-POS-43c25e9b-2
0.505
ROB-UNI-7b37d95b-1
0.505
ALP-POS-d054b76b-2
0.505
MAT-UNK-35705829-1
0.505
DAR-DIA-0f2f46c9-12
0.500