Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1CCNc2ccc(Cl)cc21 |
MW: | 337.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-12-01 |
Synthesis Location: | enamine |
Shipped: | 2021-01-08 |
MIC-UNK-91acba05-5
1.000
ALP-POS-477dc5b7-2
1.000
EDJ-MED-92e193ae-1
1.000
MAR-UCB-6ab2ec87-1
0.716
MAT-POS-78e1d523-6
0.699
ALP-UNI-3735e77e-4
0.699
MAT-POS-f9802937-8
0.699
MAT-POS-78e1d523-5
0.699
MAT-POS-f9802937-9
0.699
ALP-UNI-ba800595-2
0.694
ALP-POS-fe871b40-10
0.694
ALF-EVA-82cf4849-1
0.682
MAT-POS-86c60949-2
0.674
BEN-DND-d1eb1f41-10
0.674
ALF-EVA-82cf4849-2
0.659
BEN-DND-d1eb1f41-3
0.645
ROB-UNI-322e8f70-2
0.644
ALP-UNI-ba800595-1
0.640
MAT-POS-43c25e9b-1
0.632
PET-UNK-b1ef24dc-11
0.632
MIC-UNK-45817b9b-1
0.632
MAT-POS-43c25e9b-2
0.632
EDJ-MED-a6bd50ad-1
0.632
ROB-UNI-611831f5-2
0.625
ALP-POS-fe871b40-6
0.625
PET-UNK-b1ef24dc-12
0.625
ALP-POS-fe871b40-2
0.622
PET-UNK-7f7e354d-2
0.618
PET-UNK-b1ef24dc-9
0.614
PET-UNK-b1ef24dc-10
0.607
ALF-EVA-b701bd13-5
0.607
MIC-UNK-91acba05-4
0.602
ALP-POS-477dc5b7-1
0.602
DAR-DIA-0f2f46c9-10
0.600
ALF-EVA-5b152d2f-1
0.600
PET-UNK-e274cad4-9
0.600
ALF-EVA-b701bd13-3
0.596
PET-UNK-e274cad4-4
0.593
RAL-THA-4aa06b95-1
0.593
DAR-DIA-0f2f46c9-4
0.593
DAR-DIA-0f2f46c9-5
0.593
DAR-DIA-0f2f46c9-6
0.593
EDG-MED-5d232de5-6
0.589
EDG-MED-5d232de5-5
0.589
MIC-UNK-91acba05-6
0.589
RAL-THA-8416115c-2
0.589
DAR-DIA-0f2f46c9-12
0.589
DAR-DIA-0f2f46c9-2
0.587
DAR-DIA-0f2f46c9-3
0.587
DAR-DIA-0f2f46c9-1
0.587
VLA-UNK-8e76d113-2
0.587
MAT-POS-66a736cf-1
0.584
LUO-POS-868e8996-14
0.584
MAT-POS-b3e365b9-1
0.584
MAT-POS-78e1d523-1
0.584
VLA-UCB-1dbca3b4-15
0.584
MAT-POS-f7918075-1
0.584
MAT-POS-b3e365b9-2
0.584
MIC-UNK-91acba05-3
0.584
LUO-POS-868e8996-13
0.584
DAR-DIA-0587064e-13
0.583
EDJ-MED-12c4873b-6
0.577
EDJ-MED-43f8f7d6-7
0.577
RAL-THA-8f106089-3
0.577
RAL-THA-8f106089-4
0.577
ALP-POS-966f8da6-2
0.576
EDG-MED-5d232de5-4
0.576
EDG-MED-5d232de5-3
0.576
RAL-THA-c11c1343-1
0.576
ALF-EVA-82cf4849-5
0.576
DAR-DIA-0587064e-11
0.576
DAR-DIA-0587064e-18
0.576
DAR-DIA-0587064e-16
0.571
RAL-THA-4aa06b95-6
0.570
RAL-THA-8416115c-3
0.570
DAR-DIA-0f2f46c9-7
0.568
DAR-DIA-0f2f46c9-8
0.568
DAR-DIA-0f2f46c9-9
0.568
DAR-DIA-0587064e-14
0.567
DAR-DIA-0f2f46c9-11
0.564
DAR-DIA-0f2f46c9-13
0.562
DAR-DIA-0f2f46c9-14
0.562
MAR-UCB-6ab2ec87-2
0.562
BEN-BAS-c2bc0d80-1
0.562
PET-UNK-022eab87-1
0.562
ROB-UNI-322e8f70-3
0.560
MAT-POS-865c3497-2
0.560
MAT-POS-865c3497-1
0.560
MIC-UNK-91acba05-1
0.560
MAT-POS-22e8b45a-1
0.560
RAL-THA-8416115c-6
0.560
DAR-DIA-0587064e-21
0.559
RAL-THA-8416115c-4
0.558
RAL-THA-4aa06b95-2
0.558
RAL-THA-4aa06b95-3
0.558
RAL-THA-8416115c-7
0.558
EDJ-MED-12c115cc-2
0.557
MAT-POS-f7918075-2
0.557
MAT-POS-bbbbc21a-2
0.557
EDJ-MED-12c115cc-1
0.557