Molecule Details
| Molecular Properties | |
| SMILES: | CN(CCC#N)S(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 509.13 |
| Fraction sp3: | 0.32 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 97.61 |
| cLogP: | 3.47 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.612930533414966 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
ALP-POS-ecbed2ba-17
0.850
ALP-POS-ecbed2ba-18
0.828
ALP-POS-ecbed2ba-19
0.822
ALP-POS-ecbed2ba-21
0.798
EDJ-MED-accc2c4d-1
0.760
LUO-POS-ed2cfb03-2
0.725
EDJ-MED-accc2c4d-3
0.724
EDJ-MED-7587a9ee-3
0.713
ALP-POS-ecbed2ba-20
0.699
ALP-POS-ecbed2ba-22
0.694
PET-UNK-94036022-3
0.692
PET-UNK-94036022-10
0.692
EDJ-MED-accc2c4d-4
0.692
ALP-POS-ecbed2ba-13
0.691
ALP-POS-ecbed2ba-4
0.688
EDJ-MED-8bb691af-6
0.688
MIK-ENA-5d9157e9-1
0.688
MIK-ENA-5d9157e9-2
0.688
ALP-POS-ecbed2ba-3
0.676
EDJ-MED-3707c4bc-1
0.676
EDJ-MED-3707c4bc-2
0.676
ALP-POS-ecbed2ba-8
0.676
ALP-POS-ecbed2ba-9
0.673
EDJ-MED-accc2c4d-2
0.673
EDJ-MED-4138fde9-7
0.673
LUO-POS-ed2cfb03-1
0.667
ALP-POS-ecbed2ba-15
0.664
ALP-POS-ecbed2ba-10
0.664
PET-UNK-94036022-2
0.664
PET-UNK-94036022-9
0.664
ALP-POS-ecbed2ba-6
0.652
ALP-POS-ecbed2ba-5
0.652
EDJ-MED-4138fde9-8
0.649
ALP-POS-ecbed2ba-1
0.646
EDJ-MED-4138fde9-9
0.646
ALP-POS-ecbed2ba-11
0.641
EDJ-MED-5cd3920d-5
0.637
EDJ-MED-5cd3920d-6
0.637
VLA-UNK-61877630-10
0.637
ALP-POS-ecbed2ba-2
0.636
ALP-POS-ecbed2ba-14
0.634
ALP-POS-c3a90b22-7
0.628
EDJ-MED-40e596c8-1
0.622
LUO-POS-e1dab717-19
0.620
EDJ-MED-8bb691af-4
0.609
MAT-POS-c7726e07-5
0.609
LUO-POS-868e8996-11
0.609
LUO-POS-868e8996-12
0.609
MAT-POS-c7726e07-6
0.609
EDJ-MED-7587a9ee-2
0.606
VLA-UNK-3bd6fc51-1
0.600
EDJ-MED-40e596c8-2
0.595
MAT-POS-e75f6e44-1
0.591
MAT-POS-69786b79-4
0.590
ALP-POS-c3a90b22-6
0.588
PET-UNK-7e9559de-1
0.586
MAT-POS-96396902-1
0.586
PET-UNK-7e9559de-4
0.586
ALP-POS-133e7cd9-2
0.585
MAT-POS-e75f6e44-11
0.585
EDJ-MED-6b23330e-3
0.583
MAT-POS-69786b79-3
0.583
MAT-POS-e75f6e44-7
0.581
MAT-POS-e75f6e44-17
0.581
LUO-POS-e1dab717-1
0.579
MAT-POS-576f7758-1
0.579
ALP-POS-ecbed2ba-7
0.579
MAT-POS-566864e2-3
0.579
MAT-POS-566864e2-4
0.579
MAT-POS-69786b79-1
0.579
MIK-ENA-4a1c9a78-1
0.578
MIK-ENA-1494235a-1
0.578
MIK-ENA-4ed700b1-1
0.578
BRU-THA-ae0174a8-1
0.578
EDJ-MED-6b23330e-2
0.573
MAT-POS-e75f6e44-4
0.573
EDJ-MED-6b23330e-5
0.573
EDJ-MED-6b23330e-1
0.573
EDJ-MED-6b23330e-7
0.573
MAT-POS-e75f6e44-2
0.573
EDJ-MED-6b23330e-4
0.568
VLA-UNK-61877630-8
0.567
VLA-UNK-e334495f-2
0.567
ALP-POS-ecbed2ba-12
0.564
MAT-POS-69786b79-2
0.564
MAT-POS-566864e2-1
0.564
MAT-POS-566864e2-2
0.564
MAT-POS-e75f6e44-5
0.564
MAT-POS-e75f6e44-15
0.563
EDJ-MED-6b23330e-6
0.563
MAT-POS-e75f6e44-6
0.563
MAT-POS-e75f6e44-12
0.563
MAT-POS-e75f6e44-19
0.563
MAT-POS-e75f6e44-3
0.559
MAT-POS-e75f6e44-10
0.558
EDJ-MED-33064c06-16
0.558
EDJ-MED-cc48ee33-3
0.556
ALP-POS-c3a90b22-2
0.556
EDJ-MED-cc48ee33-4
0.551
EDJ-MED-b6c6ee2b-4
0.551