Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCN(C)C)cc45)C3=O)C2)CC1 |
| MW: | 598.2 |
| Fraction sp3: | 0.47 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 9 |
| TPSA: | 92.28 |
| cLogP: | 3.83 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.180855584743481 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
MAT-POS-853c0ffa-19
0.858
LUO-POS-8484f2d3-1
0.836
MAT-POS-853c0ffa-9
0.836
MAT-POS-38eb6498-1
0.836
MIK-ENA-8063e9dc-1
0.836
LUO-POS-8484f2d3-2
0.836
MIK-ENA-7066949b-1
0.836
MAT-POS-40ad851a-4
0.754
MAT-POS-40ad851a-2
0.742
MAT-POS-40ad851a-3
0.734
MAT-POS-853c0ffa-14
0.733
ALP-POS-ecbed2ba-6
0.728
MAT-POS-1a788f51-2
0.715
MAT-POS-853c0ffa-12
0.708
MAT-POS-1a788f51-1
0.699
EDJ-MED-4138fde9-1
0.696
MAT-POS-1a788f51-4
0.682
LUO-POS-e1dab717-7
0.680
EDJ-MED-ee81482e-3
0.677
MAT-POS-1a788f51-3
0.674
MIK-ENA-bb7b6957-1
0.672
EDJ-MED-b6c6ee2b-3
0.672
MIK-ENA-60569a44-1
0.672
EDJ-MED-468565e0-5
0.672
EDJ-MED-468565e0-1
0.672
MAT-POS-38eb6498-3
0.664
EDJ-MED-b6c6ee2b-1
0.664
MAT-POS-853c0ffa-8
0.664
MAT-POS-40ad851a-5
0.662
EDJ-MED-468565e0-2
0.659
EDJ-MED-468565e0-4
0.656
MAT-POS-853c0ffa-16
0.650
MAT-POS-853c0ffa-7
0.650
EDJ-MED-468565e0-3
0.642
EDJ-MED-4138fde9-2
0.642
MIK-ENA-30ee93be-1
0.638
MAT-POS-40ad851a-1
0.637
EDJ-MED-5cd3920d-1
0.630
EDJ-MED-ee81482e-2
0.623
EDJ-MED-ee81482e-1
0.620
EDJ-MED-b6c6ee2b-4
0.612
MAT-POS-853c0ffa-21
0.610
LUO-POS-d1147590-1
0.609
ALP-POS-ecbed2ba-3
0.595
EDJ-MED-5cd3920d-2
0.594
EDJ-MED-ee81482e-4
0.593
MAT-POS-853c0ffa-20
0.591
MAT-POS-853c0ffa-13
0.587
PET-UNK-94036022-3
0.582
PET-UNK-94036022-10
0.582
ALP-POS-ecbed2ba-4
0.581
MIK-ENA-5d9157e9-1
0.581
EDJ-MED-8bb691af-6
0.581
MIK-ENA-5d9157e9-2
0.581
MAT-POS-853c0ffa-11
0.577
EDJ-MED-5cd3920d-5
0.576
PET-UNK-94036022-9
0.573
PET-UNK-94036022-2
0.573
EDJ-MED-b6c6ee2b-5
0.573
MAT-POS-38eb6498-4
0.573
ALP-POS-ecbed2ba-8
0.571
ALP-POS-ecbed2ba-1
0.571
EDJ-MED-3707c4bc-1
0.569
EDJ-MED-4138fde9-3
0.568
MAT-POS-38eb6498-2
0.564
VLA-UNK-61877630-10
0.563
EDJ-MED-5cd3920d-6
0.563
EDJ-MED-d4864bdc-4
0.563
ALP-POS-ecbed2ba-15
0.562
LUO-POS-e1dab717-8
0.559
EDJ-MED-4138fde9-7
0.558
ALP-POS-ecbed2ba-11
0.557
EDJ-MED-accc2c4d-3
0.556
EDJ-MED-3707c4bc-2
0.556
MAT-POS-853c0ffa-18
0.556
ALP-POS-ecbed2ba-22
0.550
EDJ-MED-4138fde9-8
0.548
EDJ-MED-accc2c4d-1
0.548
MAT-POS-853c0ffa-17
0.543
MAT-POS-853c0ffa-22
0.543
ALP-POS-ecbed2ba-2
0.541
MAT-POS-853c0ffa-6
0.539
ALP-POS-ecbed2ba-13
0.535
ALP-POS-ecbed2ba-21
0.531
EDJ-MED-7587a9ee-3
0.529
EDJ-MED-ee81482e-5
0.529
LUO-POS-ed2cfb03-2
0.528
EDJ-MED-4138fde9-4
0.528
ALP-POS-ecbed2ba-5
0.527
MAT-POS-853c0ffa-15
0.526
MAT-POS-1d5ab790-1
0.523
MAT-POS-853c0ffa-5
0.523
EDJ-MED-4138fde9-9
0.523
ALP-POS-ecbed2ba-20
0.520
ALP-POS-ecbed2ba-18
0.520
LUO-POS-e1dab717-5
0.519
PET-UNK-c6bcc80b-4
0.518
PET-UNK-c6bcc80b-11
0.518
EDJ-MED-b6c6ee2b-2
0.515
ALP-POS-ecbed2ba-17
0.515