Molecular Properties | |
SMILES: | CC(=O)N1CC[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 17.1784924881723 |
Order Status | |
Ordered: | 2021-01-13 |
Synthesis Location: | enamine |
Shipped: | 2021-01-28 |
EDG-MED-5d232de5-4
1.000
ALP-POS-966f8da6-2
1.000
RAL-THA-c11c1343-1
1.000
RAL-THA-4aa06b95-1
0.805
RAL-THA-4aa06b95-3
0.798
RAL-THA-4aa06b95-4
0.788
RAL-THA-4aa06b95-2
0.776
RAL-THA-4aa06b95-5
0.753
MAR-UCB-6ab2ec87-7
0.747
EDG-MED-5d232de5-5
0.718
RAL-THA-8416115c-2
0.718
MIC-UNK-91acba05-6
0.718
EDG-MED-5d232de5-6
0.718
DAR-DIA-0f2f46c9-12
0.718
RAL-THA-8416115c-3
0.713
DAR-DIA-0f2f46c9-4
0.701
DAR-DIA-0f2f46c9-5
0.701
DAR-DIA-0f2f46c9-6
0.701
RAL-THA-8416115c-4
0.697
DAR-DIA-0f2f46c9-10
0.690
DAR-DIA-0f2f46c9-13
0.681
DAR-DIA-0f2f46c9-14
0.681
DAR-DIA-0f2f46c9-3
0.674
DAR-DIA-0f2f46c9-1
0.674
DAR-DIA-0f2f46c9-2
0.674
RAL-THA-4aa06b95-6
0.674
DAR-DIA-0f2f46c9-7
0.670
DAR-DIA-0f2f46c9-8
0.670
DAR-DIA-0f2f46c9-9
0.670
RAL-THA-8416115c-8
0.670
DAR-DIA-0f2f46c9-11
0.667
RAL-THA-4aa06b95-7
0.667
RAL-THA-8416115c-7
0.659
RAL-THA-8416115c-10
0.656
RAL-THA-8416115c-9
0.649
MAR-UCB-6ab2ec87-6
0.636
RAL-THA-8416115c-1
0.632
ALP-POS-d054b76b-1
0.615
MIC-UNK-45817b9b-2
0.615
ALP-UNI-b33a865d-1
0.606
RAL-THA-8416115c-11
0.606
ALP-POS-966f8da6-1
0.606
RAL-THA-8416115c-6
0.606
RAL-THA-8416115c-12
0.604
RAL-THA-8416115c-13
0.604
RAL-THA-8416115c-14
0.600
RAL-THA-8416115c-5
0.594
EDJ-MED-92e193ae-2
0.576
MIC-UNK-91acba05-5
0.576
EDJ-MED-92e193ae-1
0.576
ALP-POS-477dc5b7-2
0.576
MAT-POS-b3e365b9-2
0.565
ALP-POS-477dc5b7-1
0.565
MAT-POS-66a736cf-1
0.565
VLA-UCB-1dbca3b4-15
0.565
MIC-UNK-91acba05-4
0.565
LUO-POS-868e8996-13
0.565
LUO-POS-868e8996-14
0.565
MIC-UNK-91acba05-3
0.565
MAT-POS-b3e365b9-1
0.565
MAT-POS-f7918075-1
0.565
MAT-POS-78e1d523-1
0.565
MAT-POS-dd3ad2b5-2
0.552
PET-UNK-9b23ef84-2
0.552
ALF-EVA-5b152d2f-1
0.547
ALP-POS-d054b76b-3
0.545
MAR-UCB-6ab2ec87-1
0.543
EDJ-MED-12c115cc-1
0.538
EDJ-MED-12c115cc-2
0.538
MAT-POS-bbbbc21a-2
0.538
MAT-POS-f7918075-2
0.538
EDJ-MED-eb111c00-1
0.537
MIC-UNK-91acba05-2
0.537
RAL-THA-6e4c80cf-1
0.536
MAT-POS-4223bc15-19
0.536
RAL-THA-05e671eb-3
0.532
ALP-UNI-ba800595-1
0.532
MAT-POS-dd3ad2b5-1
0.531
BEN-DND-f2e727cd-6
0.531
EDJ-MED-12c4873b-3
0.530
PET-UNK-022eab87-1
0.527
BEN-BAS-c2bc0d80-1
0.527
MAT-POS-43c25e9b-2
0.526
EDJ-MED-a6bd50ad-1
0.526
MAT-POS-43c25e9b-1
0.526
MIC-UNK-45817b9b-1
0.526
EDJ-MED-b774e9fe-1
0.526
EDJ-MED-2791eece-2
0.526
ALP-POS-a577c8a2-2
0.526
EDJ-MED-eb111c00-3
0.525
LUO-POS-3f66b338-1
0.525
EDJ-MED-43f8f7d6-1
0.525
EDJ-MED-12c4873b-4
0.525
PET-UNK-c0891748-4
0.521
PET-UNK-1b92fa34-1
0.521
MAT-POS-2e8b2191-2
0.521
PET-UNK-c0891748-12
0.521
PET-UNK-c0891748-6
0.521
PET-UNK-c0891748-10
0.521
ROB-UNI-611831f5-2
0.521