Molecule Details
| Molecular Properties | |
| SMILES: | CCNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2S1(=O)=O |
| MW: | 498.11 |
| Fraction sp3: | 0.29 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 99.68 |
| cLogP: | 2.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.275118241099123 |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-20 |
Activated haloaromatics
ALP-POS-4483ae88-2
0.865
LUO-POS-e1dab717-12
0.842
EDJ-MED-976a33d5-3
0.689
VLA-UNK-f2612802-2
0.682
EDJ-MED-98c0a822-1
0.670
EDJ-MED-98c0a822-2
0.658
VLA-UNK-f2612802-3
0.625
EDJ-MED-94fddcec-4
0.581
EDJ-MED-d4864bdc-3
0.581
ALP-POS-41e2080f-1
0.581
VLA-UNK-f2612802-1
0.574
MAT-POS-e75f6e44-7
0.569
MIK-ENA-794411b8-1
0.568
LUO-POS-9931618f-2
0.568
MAT-POS-c7726e07-6
0.568
PET-UNK-14142a25-10
0.568
LUO-POS-868e8996-12
0.568
EDJ-MED-8bb691af-4
0.568
EDJ-MED-8bb691af-8
0.568
LUO-POS-868e8996-11
0.568
MAT-POS-c7726e07-5
0.568
MIK-ENA-37e0b697-1
0.568
PET-UNK-14142a25-1
0.568
LUO-POS-9931618f-1
0.568
MAT-POS-e48723dc-1
0.565
MAT-POS-e48723dc-2
0.565
BRU-THA-ae0174a8-1
0.565
ALP-POS-ecbed2ba-14
0.565
MAT-POS-576f7758-2
0.565
EDJ-MED-976a33d5-1
0.565
LUO-POS-e1dab717-2
0.565
EDJ-MED-6b23330e-6
0.564
MAT-POS-e75f6e44-6
0.564
EDJ-MED-33064c06-5
0.564
EDJ-MED-6b23330e-2
0.560
MAT-POS-e75f6e44-4
0.560
EDJ-MED-6b23330e-5
0.560
EDJ-MED-6b23330e-7
0.560
MAT-POS-e75f6e44-2
0.560
EDJ-MED-6b23330e-1
0.560
ALP-POS-4483ae88-1
0.560
EDJ-MED-f9b78f78-4
0.560
EDJ-MED-33064c06-3
0.559
JOH-MSK-4bb3d434-1
0.558
MAT-POS-69786b79-3
0.557
EDJ-MED-3af0740c-1
0.556
EDJ-MED-33064c06-1
0.556
EDJ-MED-6b23330e-4
0.556
MAT-POS-e75f6e44-20
0.555
EDJ-MED-33064c06-4
0.555
MAT-POS-566864e2-3
0.553
MAT-POS-566864e2-4
0.553
LUO-POS-e1dab717-1
0.553
ALP-POS-ecbed2ba-7
0.553
MAT-POS-69786b79-1
0.553
MAT-POS-576f7758-1
0.553
MAT-POS-566864e2-1
0.552
MAT-POS-566864e2-2
0.552
MAT-POS-e75f6e44-1
0.552
MAT-POS-e75f6e44-5
0.552
EDJ-MED-33064c06-2
0.552
ALP-POS-ecbed2ba-12
0.552
MAT-POS-e75f6e44-15
0.551
MAT-POS-e75f6e44-19
0.551
EDJ-MED-33064c06-12
0.551
MAT-POS-e75f6e44-16
0.550
LUO-POS-e1dab717-19
0.550
ALP-POS-c3a90b22-6
0.548
EDJ-MED-4cb9dd84-1
0.547
EDJ-MED-33064c06-8
0.547
EDJ-MED-40e596c8-3
0.546
EDJ-MED-33064c06-16
0.546
MAT-POS-e75f6e44-10
0.546
MAT-POS-e75f6e44-11
0.546
EDJ-MED-7587a9ee-3
0.545
EDJ-MED-33064c06-6
0.545
ALP-POS-c3a90b22-2
0.543
ALP-POS-c3a90b22-5
0.543
MAT-POS-e75f6e44-17
0.542
ALP-POS-c3a90b22-1
0.542
EDJ-MED-98c0a822-3
0.542
MAT-POS-e75f6e44-18
0.542
EDJ-MED-33064c06-17
0.542
EDJ-MED-40e596c8-1
0.539
MIK-ENA-4a1c9a78-1
0.538
MIK-ENA-1494235a-1
0.538
MIK-ENA-4ed700b1-1
0.538
MAT-POS-e75f6e44-13
0.538
EDJ-MED-33064c06-14
0.538
MAT-POS-e75f6e44-12
0.538
MAT-POS-e75f6e44-21
0.537
VLA-UNK-8e615992-1
0.534
VLA-UNK-5d8210f0-1
0.534
VLA-UNK-61877630-4
0.534
MAT-POS-e75f6e44-3
0.534
EDJ-MED-40e596c8-4
0.533
MAT-POS-e75f6e44-14
0.533
EDJ-MED-33064c06-10
0.533
EDJ-MED-33064c06-13
0.533
ALP-POS-c3a90b22-11
0.533