Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C#N)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 508.13 |
| Fraction sp3: | 0.35 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 94.37 |
| cLogP: | 4.26 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.4479522665284 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-13 |
Hetero_hetero
EDJ-MED-3707c4bc-2
0.845
EDJ-MED-accc2c4d-3
0.808
EDJ-MED-accc2c4d-1
0.775
EDJ-MED-3707c4bc-1
0.772
ALP-POS-ecbed2ba-4
0.767
EDJ-MED-8bb691af-6
0.767
MIK-ENA-5d9157e9-1
0.767
MIK-ENA-5d9157e9-2
0.767
ALP-POS-ecbed2ba-3
0.755
ALP-POS-ecbed2ba-8
0.752
EDJ-MED-4138fde9-7
0.748
EDJ-MED-4138fde9-8
0.740
PET-UNK-94036022-2
0.740
PET-UNK-94036022-9
0.740
ALP-POS-ecbed2ba-15
0.738
ALP-POS-ecbed2ba-22
0.738
PET-UNK-94036022-3
0.738
PET-UNK-94036022-10
0.738
EDJ-MED-7587a9ee-3
0.727
ALP-POS-ecbed2ba-17
0.726
ALP-POS-ecbed2ba-5
0.726
ALP-POS-ecbed2ba-6
0.726
EDJ-MED-5cd3920d-6
0.726
VLA-UNK-61877630-10
0.726
LUO-POS-ed2cfb03-2
0.723
ALP-POS-ecbed2ba-1
0.720
ALP-POS-ecbed2ba-11
0.712
EDJ-MED-5cd3920d-5
0.710
ALP-POS-ecbed2ba-2
0.705
EDJ-MED-accc2c4d-4
0.705
EDJ-MED-4138fde9-9
0.704
EDJ-MED-accc2c4d-2
0.701
ALP-POS-ecbed2ba-20
0.696
ALP-POS-ecbed2ba-16
0.691
ALP-POS-ecbed2ba-18
0.689
ALP-POS-ecbed2ba-9
0.685
LUO-POS-ed2cfb03-1
0.679
ALP-POS-ecbed2ba-19
0.670
EDJ-MED-6b23330e-3
0.664
ALP-POS-ecbed2ba-10
0.661
ALP-POS-133e7cd9-2
0.652
ALP-POS-ecbed2ba-21
0.652
ALP-POS-c3a90b22-7
0.625
EDJ-MED-40e596c8-1
0.618
EDJ-MED-7587a9ee-2
0.617
LUO-POS-e1dab717-19
0.617
ALP-POS-ecbed2ba-14
0.616
EDJ-MED-b6c6ee2b-4
0.616
VLA-UNK-3bd6fc51-1
0.611
EDJ-MED-8bb691af-4
0.606
LUO-POS-868e8996-12
0.606
MAT-POS-c7726e07-6
0.606
MAT-POS-c7726e07-5
0.606
LUO-POS-868e8996-11
0.606
MAT-POS-853c0ffa-11
0.605
VLA-UNK-61877630-8
0.603
VLA-UNK-e334495f-2
0.603
EDJ-MED-5cd3920d-2
0.597
EDJ-MED-6b23330e-1
0.596
EDJ-MED-6b23330e-2
0.596
EDJ-MED-6b23330e-7
0.596
MAT-POS-853c0ffa-20
0.593
MAT-POS-69786b79-3
0.593
EDJ-MED-6b23330e-4
0.591
MAT-POS-853c0ffa-13
0.590
MAT-POS-566864e2-3
0.589
MAT-POS-576f7758-1
0.589
LUO-POS-e1dab717-1
0.589
ALP-POS-ecbed2ba-7
0.589
MAT-POS-69786b79-1
0.589
MAT-POS-566864e2-4
0.589
MAT-POS-853c0ffa-15
0.588
MIK-ENA-1494235a-1
0.588
MIK-ENA-4ed700b1-1
0.588
MIK-ENA-4a1c9a78-1
0.588
MAT-POS-853c0ffa-21
0.586
MAT-POS-69786b79-4
0.586
EDJ-MED-6b23330e-6
0.586
ALP-POS-c3a90b22-6
0.584
MIK-ENA-bb7b6957-1
0.583
EDJ-MED-b6c6ee2b-3
0.583
MIK-ENA-60569a44-1
0.583
MAT-POS-853c0ffa-22
0.581
MAT-POS-e75f6e44-11
0.581
EDJ-MED-40e596c8-2
0.578
MAT-POS-38eb6498-2
0.577
BRU-THA-ae0174a8-1
0.574
ALP-POS-ecbed2ba-12
0.574
MAT-POS-566864e2-2
0.574
MAT-POS-69786b79-2
0.574
MAT-POS-566864e2-1
0.574
MAT-POS-e75f6e44-1
0.574
MAT-POS-e75f6e44-5
0.574
MAT-POS-e75f6e44-21
0.571
MAT-POS-e75f6e44-8
0.571
MAT-POS-e75f6e44-9
0.571
EDJ-MED-6b23330e-5
0.569
MAT-POS-e75f6e44-4
0.569
VLA-UNK-61877630-7
0.568
VLA-UNK-e334495f-1
0.568