Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cc(S(C)(=O)=O)ccc45)C3=O)C2)CC1 |
| MW: | 573.12 |
| Fraction sp3: | 0.41 |
| HBA: | 6 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 104.72 |
| cLogP: | 3.91 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.15493262142154 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
MAT-POS-853c0ffa-15
0.827
MAT-POS-853c0ffa-16
0.827
ALP-POS-ecbed2ba-3
0.765
MAT-POS-853c0ffa-21
0.697
MAT-POS-853c0ffa-20
0.673
LUO-POS-e1dab717-9
0.670
ALP-POS-ecbed2ba-1
0.667
MAT-POS-853c0ffa-18
0.649
MAT-POS-853c0ffa-17
0.649
MAT-POS-853c0ffa-19
0.642
PET-UNK-94036022-3
0.636
PET-UNK-94036022-10
0.636
ALP-POS-ecbed2ba-6
0.628
PET-UNK-94036022-9
0.625
PET-UNK-94036022-2
0.625
EDJ-MED-4138fde9-7
0.621
ALP-POS-ecbed2ba-4
0.619
MIK-ENA-5d9157e9-1
0.619
EDJ-MED-8bb691af-6
0.619
MIK-ENA-5d9157e9-2
0.619
VLA-UNK-61877630-10
0.614
EDJ-MED-5cd3920d-5
0.614
EDJ-MED-5cd3920d-6
0.614
ALP-POS-ecbed2ba-8
0.609
EDJ-MED-7587a9ee-3
0.607
EDJ-MED-accc2c4d-3
0.607
EDJ-MED-3707c4bc-1
0.607
EDJ-MED-3707c4bc-2
0.607
ALP-POS-ecbed2ba-15
0.598
ALP-POS-ecbed2ba-22
0.598
EDJ-MED-4138fde9-8
0.596
PET-UNK-c6bcc80b-4
0.585
PET-UNK-c6bcc80b-11
0.585
EDJ-MED-b6c6ee2b-4
0.583
EDJ-MED-accc2c4d-1
0.583
ALP-POS-ecbed2ba-13
0.581
ALP-POS-ecbed2ba-11
0.579
ALP-POS-ecbed2ba-2
0.574
ALP-POS-ecbed2ba-5
0.573
EDJ-MED-9f4ac58c-8
0.570
EDJ-MED-9f4ac58c-4
0.570
EDJ-MED-4138fde9-9
0.568
MAT-POS-853c0ffa-14
0.567
LUO-POS-ed2cfb03-2
0.562
MAT-POS-853c0ffa-13
0.558
LUO-POS-ed2cfb03-1
0.557
ALP-POS-ecbed2ba-20
0.554
MIK-ENA-bb7b6957-1
0.553
EDJ-MED-5cd3920d-2
0.553
EDJ-MED-b6c6ee2b-3
0.553
MIK-ENA-60569a44-1
0.553
ALP-POS-ecbed2ba-18
0.552
EDJ-MED-976a33d5-2
0.549
EDJ-MED-33064c06-7
0.549
LUO-POS-e1dab717-10
0.549
MAT-POS-853c0ffa-12
0.548
MAT-POS-853c0ffa-11
0.548
MAT-POS-853c0ffa-10
0.543
LUO-POS-8484f2d3-1
0.538
EDJ-MED-accc2c4d-4
0.538
MAT-POS-853c0ffa-9
0.538
MAT-POS-38eb6498-1
0.538
MIK-ENA-8063e9dc-1
0.538
LUO-POS-8484f2d3-2
0.538
MIK-ENA-7066949b-1
0.538
ALP-POS-ecbed2ba-19
0.538
PET-UNK-df7eb4e6-3
0.537
PET-UNK-df7eb4e6-7
0.537
MAT-POS-38eb6498-2
0.535
EDJ-MED-94fddcec-5
0.535
ALP-POS-ecbed2ba-17
0.533
MAT-POS-40ad851a-3
0.530
ALP-POS-ecbed2ba-10
0.529
MAT-POS-853c0ffa-7
0.529
MAT-POS-853c0ffa-8
0.529
EDJ-MED-5cd3920d-1
0.528
MAT-POS-40ad851a-2
0.526
ALP-POS-ecbed2ba-21
0.525
ALP-POS-133e7cd9-2
0.525
MAT-POS-1a788f51-2
0.523
EDJ-MED-ee81482e-2
0.523
MAT-POS-40ad851a-4
0.523
MAT-POS-853c0ffa-6
0.521
ALP-POS-ecbed2ba-16
0.520
EDJ-MED-ee81482e-1
0.519
MAT-POS-1a788f51-1
0.519
EDJ-MED-4138fde9-1
0.519
MAT-POS-1d5ab790-1
0.516
MAT-POS-853c0ffa-5
0.516
MAT-POS-b4d6b7fc-7
0.516
EDJ-MED-7587a9ee-2
0.513
ALP-POS-ecbed2ba-9
0.512
EDJ-MED-accc2c4d-2
0.512
LUO-POS-d1147590-1
0.511
MAT-POS-1a788f51-4
0.511
EDJ-MED-ee81482e-4
0.507
EDJ-MED-ee81482e-3
0.507
EDJ-MED-7d88f880-3
0.504
MAT-POS-1a788f51-3
0.504
EDJ-MED-468565e0-1
0.500