Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cccc(Cl)c45)C3=O)C2)CC1 |
| MW: | 540.08 |
| Fraction sp3: | 0.35 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 94.37 |
| cLogP: | 4.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.79394546947109 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
MAT-POS-853c0ffa-5
1.000
MAT-POS-853c0ffa-6
0.812
MAT-POS-853c0ffa-17
0.802
MAT-POS-853c0ffa-7
0.786
EDJ-MED-8bb691af-6
0.717
ALP-POS-ecbed2ba-4
0.717
MIK-ENA-5d9157e9-1
0.717
MIK-ENA-5d9157e9-2
0.717
EDJ-MED-b6c6ee2b-4
0.708
MAT-POS-853c0ffa-13
0.676
ALP-POS-ecbed2ba-8
0.673
ALP-POS-ecbed2ba-15
0.661
MAT-POS-853c0ffa-18
0.655
EDJ-MED-5cd3920d-2
0.652
MIK-ENA-60569a44-1
0.652
MIK-ENA-bb7b6957-1
0.652
EDJ-MED-b6c6ee2b-3
0.652
MAT-POS-853c0ffa-11
0.647
ALP-POS-ecbed2ba-2
0.647
MAT-POS-38eb6498-2
0.644
MAT-POS-853c0ffa-15
0.643
MAT-POS-853c0ffa-8
0.643
EDJ-MED-4138fde9-7
0.640
MAT-POS-1a788f51-1
0.639
ALP-POS-ecbed2ba-11
0.638
PET-UNK-df7eb4e6-3
0.637
PET-UNK-df7eb4e6-7
0.637
EDJ-MED-5cd3920d-1
0.636
EDJ-MED-705e09b8-2
0.634
MIK-ENA-8063e9dc-1
0.631
LUO-POS-8484f2d3-1
0.631
MIK-ENA-7066949b-1
0.631
LUO-POS-8484f2d3-2
0.631
MAT-POS-38eb6498-1
0.631
MAT-POS-853c0ffa-9
0.631
PET-UNK-94036022-9
0.631
PET-UNK-94036022-2
0.631
PET-UNK-c6bcc80b-4
0.630
PET-UNK-c6bcc80b-11
0.630
EDJ-MED-ee81482e-2
0.628
MAT-POS-1a788f51-2
0.628
MAT-POS-40ad851a-4
0.626
EDJ-MED-468565e0-1
0.626
EDJ-MED-ee81482e-1
0.625
EDJ-MED-4138fde9-1
0.623
ALP-POS-133e7cd9-2
0.623
MAT-POS-40ad851a-3
0.621
MAT-POS-40ad851a-5
0.616
EDJ-MED-468565e0-5
0.613
LUO-POS-d1147590-1
0.613
EDJ-MED-468565e0-4
0.611
MAT-POS-1d5ab790-2
0.607
MAT-POS-b4d6b7fc-6
0.607
EDJ-MED-ee81482e-3
0.606
MAT-POS-1a788f51-3
0.603
MAT-POS-40ad851a-2
0.603
EDJ-MED-ee81482e-5
0.600
MAT-POS-1a788f51-4
0.598
EDJ-MED-468565e0-3
0.597
EDJ-MED-ee81482e-4
0.595
MAT-POS-40ad851a-1
0.592
ALP-POS-ecbed2ba-22
0.590
EDJ-MED-468565e0-2
0.589
PET-UNK-143b31ee-1
0.585
PET-UNK-143b31ee-4
0.585
EDJ-MED-4138fde9-2
0.585
EDJ-MED-accc2c4d-3
0.584
VLA-UNK-61877630-8
0.576
VLA-UNK-e334495f-2
0.576
PET-UNK-94036022-3
0.570
PET-UNK-94036022-10
0.570
ALP-POS-ecbed2ba-3
0.570
MAT-POS-1bed62cf-1
0.564
LUO-POS-868e8996-9
0.564
LUO-POS-868e8996-10
0.564
ALP-POS-ecbed2ba-6
0.564
EDJ-MED-accc2c4d-1
0.560
ALP-POS-ecbed2ba-1
0.559
EDJ-MED-5cd3920d-6
0.551
EDJ-MED-5cd3920d-5
0.551
VLA-UNK-61877630-10
0.551
LUO-POS-e1dab717-15
0.550
ALP-POS-ecbed2ba-13
0.546
PET-UNK-143b31ee-5
0.545
PET-UNK-143b31ee-2
0.545
EDJ-MED-3707c4bc-1
0.543
ALP-POS-ecbed2ba-5
0.538
MAT-POS-853c0ffa-21
0.533
LUO-POS-e1dab717-16
0.533
MAT-POS-853c0ffa-14
0.533
EDJ-MED-accc2c4d-4
0.530
EDJ-MED-3707c4bc-2
0.530
MAT-POS-853c0ffa-10
0.523
EDJ-MED-4138fde9-8
0.521
MAT-POS-853c0ffa-19
0.519
ALP-POS-c3a90b22-7
0.517
VLA-UNK-61877630-7
0.516
VLA-UNK-e334495f-1
0.516
MAT-POS-853c0ffa-22
0.516
MAT-POS-853c0ffa-20
0.516