Molecule Details
| Molecular Properties | |
| SMILES: | COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 514.14 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 6 |
| TPSA: | 83.05 |
| cLogP: | 3.2 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.992968566895424 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Long aliphatic chain
Hetero_hetero
ALP-POS-ecbed2ba-19
0.830
ALP-POS-ecbed2ba-18
0.818
ALP-POS-ecbed2ba-16
0.798
ALP-POS-ecbed2ba-17
0.786
EDJ-MED-7587a9ee-3
0.720
LUO-POS-ed2cfb03-2
0.716
ALP-POS-ecbed2ba-20
0.706
ALP-POS-ecbed2ba-6
0.688
ALP-POS-ecbed2ba-10
0.685
EDJ-MED-accc2c4d-1
0.685
PET-UNK-94036022-3
0.682
PET-UNK-94036022-10
0.682
EDJ-MED-3707c4bc-2
0.682
ALP-POS-ecbed2ba-3
0.682
EDJ-MED-3707c4bc-1
0.682
LUO-POS-ed2cfb03-1
0.673
ALP-POS-ecbed2ba-8
0.667
EDJ-MED-4138fde9-9
0.667
EDJ-MED-accc2c4d-3
0.667
EDJ-MED-8bb691af-6
0.664
ALP-POS-ecbed2ba-4
0.664
MIK-ENA-5d9157e9-1
0.664
MIK-ENA-5d9157e9-2
0.664
PET-UNK-94036022-9
0.655
EDJ-MED-4138fde9-8
0.655
PET-UNK-94036022-2
0.655
ALP-POS-ecbed2ba-13
0.652
ALP-POS-ecbed2ba-1
0.652
EDJ-MED-accc2c4d-4
0.651
ALP-POS-ecbed2ba-5
0.643
EDJ-MED-5cd3920d-5
0.643
EDJ-MED-5cd3920d-6
0.643
VLA-UNK-61877630-10
0.643
ALP-POS-ecbed2ba-22
0.640
ALP-POS-ecbed2ba-15
0.640
EDJ-MED-4138fde9-7
0.635
ALP-POS-ecbed2ba-9
0.634
EDJ-MED-accc2c4d-2
0.634
LUO-POS-e1dab717-19
0.626
ALP-POS-ecbed2ba-11
0.619
ALP-POS-ecbed2ba-2
0.613
EDJ-MED-40e596c8-1
0.613
EDJ-MED-7587a9ee-2
0.611
LUO-POS-868e8996-11
0.600
MAT-POS-c7726e07-6
0.600
EDJ-MED-40e596c8-2
0.600
EDJ-MED-8bb691af-4
0.600
MAT-POS-c7726e07-5
0.600
LUO-POS-868e8996-12
0.600
VLA-UNK-3bd6fc51-1
0.591
LUO-POS-e1dab717-1
0.584
MAT-POS-566864e2-4
0.584
ALP-POS-ecbed2ba-7
0.584
MAT-POS-576f7758-1
0.584
MAT-POS-69786b79-1
0.584
MAT-POS-566864e2-3
0.584
ALP-POS-ecbed2ba-14
0.583
MAT-POS-e75f6e44-19
0.581
ALP-POS-c3a90b22-6
0.579
PET-UNK-7e9559de-1
0.578
PET-UNK-7e9559de-4
0.578
MAT-POS-96396902-1
0.578
EDJ-MED-6b23330e-5
0.578
MAT-POS-e75f6e44-4
0.578
ALP-POS-c3a90b22-7
0.578
MAT-POS-e75f6e44-2
0.578
EDJ-MED-33064c06-16
0.576
MAT-POS-e75f6e44-10
0.576
ALP-POS-c3a90b22-2
0.574
MAT-POS-69786b79-3
0.574
MAT-POS-e75f6e44-7
0.573
MIK-ENA-4a1c9a78-1
0.569
MIK-ENA-1494235a-1
0.569
MIK-ENA-4ed700b1-1
0.569
ALP-POS-ecbed2ba-12
0.569
BRU-THA-ae0174a8-1
0.569
MAT-POS-566864e2-1
0.569
MAT-POS-566864e2-2
0.569
MAT-POS-e75f6e44-15
0.568
EDJ-MED-6b23330e-1
0.564
EDJ-MED-6b23330e-2
0.564
EDJ-MED-6b23330e-7
0.564
ALP-POS-133e7cd9-2
0.563
EDJ-MED-cc48ee33-3
0.560
MAT-POS-e75f6e44-17
0.559
EDJ-MED-6b23330e-4
0.559
MAT-POS-e75f6e44-5
0.556
MAT-POS-69786b79-2
0.556
EDJ-MED-cc48ee33-4
0.556
MAT-POS-e75f6e44-1
0.556
MAT-POS-e75f6e44-6
0.555
MAT-POS-e75f6e44-13
0.555
EDJ-MED-6b23330e-6
0.555
MAT-POS-e75f6e44-12
0.555
MAT-POS-e75f6e44-3
0.551
EDJ-MED-40e596c8-3
0.550
EDJ-MED-cc48ee33-5
0.546
ALP-POS-c3a90b22-4
0.546
MAT-POS-be048f2c-5
0.545
MAT-POS-be048f2c-6
0.545