Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCSc2ccc(Cl)cc21 |
MW: | 354.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.99 |
cLogP: | 5.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.212912906804763 |
Order Status | |
Shipped: | 2021-03-03 |
MIC-UNK-91acba05-4
0.628
ALP-POS-477dc5b7-1
0.628
LUO-POS-868e8996-13
0.609
LUO-POS-868e8996-14
0.609
MIC-UNK-91acba05-3
0.609
MAT-POS-66a736cf-1
0.609
MAT-POS-b3e365b9-1
0.591
MAT-POS-b3e365b9-2
0.591
MAT-POS-f7918075-1
0.591
VLA-UCB-1dbca3b4-15
0.591
ALF-EVA-5b152d2f-1
0.589
EDJ-MED-92e193ae-1
0.584
MIC-UNK-91acba05-5
0.584
ALP-POS-477dc5b7-2
0.584
EDJ-MED-92e193ae-2
0.584
DAR-DIA-0f2f46c9-5
0.582
DAR-DIA-0f2f46c9-4
0.582
DAR-DIA-0f2f46c9-6
0.582
EDG-MED-5d232de5-6
0.578
EDG-MED-5d232de5-5
0.578
MIC-UNK-91acba05-6
0.578
RAL-THA-8416115c-2
0.578
DAR-DIA-0f2f46c9-12
0.578
DAR-DIA-0f2f46c9-10
0.571
PET-UNK-022eab87-1
0.568
RAL-THA-c11c1343-1
0.565
ALP-POS-966f8da6-2
0.565
RAL-THA-4aa06b95-1
0.565
EDG-MED-5d232de5-4
0.565
EDG-MED-5d232de5-3
0.565
RAL-THA-8416115c-4
0.564
RAL-THA-8416115c-7
0.564
EDJ-MED-12c115cc-1
0.563
EDJ-MED-12c115cc-2
0.563
MAT-POS-bbbbc21a-2
0.563
MAT-POS-f7918075-2
0.563
PET-UNK-c0891748-10
0.560
PET-UNK-c0891748-4
0.560
DAR-DIA-0f2f46c9-3
0.559
DAR-DIA-0f2f46c9-1
0.559
DAR-DIA-0f2f46c9-2
0.559
RAL-THA-4aa06b95-6
0.559
RAL-THA-8416115c-3
0.559
RAL-THA-8416115c-8
0.558
RAL-THA-05e671eb-3
0.556
DAR-DIA-0f2f46c9-11
0.553
MAR-UCB-6ab2ec87-1
0.551
BEN-BAS-c2bc0d80-1
0.551
MAT-POS-22e8b45a-1
0.549
MAT-POS-865c3497-2
0.549
MAT-POS-865c3497-1
0.549
ROB-UNI-322e8f70-3
0.549
MIC-UNK-91acba05-1
0.549
RAL-THA-4aa06b95-2
0.547
RAL-THA-4aa06b95-3
0.547
RAL-THA-8416115c-10
0.546
PET-UNK-1b92fa34-1
0.543
DAR-DIA-0f2f46c9-7
0.542
DAR-DIA-0f2f46c9-8
0.542
DAR-DIA-0f2f46c9-9
0.542
RAL-THA-4aa06b95-4
0.542
RAL-THA-8416115c-9
0.541
ALP-UNI-c3ef0aba-2
0.538
ALP-POS-fe871b40-5
0.538
ALP-UNI-ba800595-1
0.538
MAT-POS-3ccb8ef6-2
0.538
MAT-POS-3ccb8ef6-1
0.538
PET-UNK-c0891748-8
0.538
MAR-UCB-6ab2ec87-6
0.538
RAL-THA-05e671eb-25
0.538
BEN-DND-f2e727cd-4
0.538
BEN-DND-f2e727cd-5
0.538
PET-UNK-c0891748-2
0.538
MAT-POS-d8472c4f-5
0.538
EDJ-MED-12f7f543-1
0.538
RAL-THA-05e671eb-17
0.538
DAR-DIA-0f2f46c9-13
0.536
DAR-DIA-0f2f46c9-14
0.536
RAL-THA-4aa06b95-5
0.535
EDJ-MED-a6bd50ad-1
0.533
MAT-POS-43c25e9b-2
0.533
MAR-UCB-6ab2ec87-7
0.533
MIC-UNK-45817b9b-1
0.533
MAT-POS-43c25e9b-1
0.533
ALP-UNI-3735e77e-2
0.533
RAL-THA-05e671eb-16
0.533
ROB-UNI-322e8f70-2
0.527
MAT-POS-2e8b2191-2
0.527
MAT-POS-af1eef35-3
0.527
BEN-DND-d6f8d3c6-1
0.527
PET-UNK-c0891748-6
0.527
PET-UNK-c0891748-12
0.527
EDJ-MED-eb111c00-1
0.527
ALP-POS-fe871b40-6
0.527
ADA-UCB-dc2b944c-16
0.527
MAT-POS-2e8b2191-3
0.527
ALP-POS-a577c8a2-1
0.527
EDJ-MED-e18764cb-2
0.527
ALP-POS-ce760d3f-1
0.527
MIC-UNK-91acba05-2
0.527