Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2S1(=O)=O |
| MW: | 484.1 |
| Fraction sp3: | 0.26 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 99.68 |
| cLogP: | 2.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.27472373373709 |
| Order Status | |
| Ordered: | 2021-10-18 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Activated haloaromatics
LUO-POS-e1dab717-11
0.865
LUO-POS-e1dab717-12
0.812
VLA-UNK-f2612802-2
0.788
EDJ-MED-976a33d5-3
0.725
VLA-UNK-f2612802-3
0.721
EDJ-MED-98c0a822-1
0.705
EDJ-MED-98c0a822-2
0.692
EDJ-MED-8bb691af-8
0.629
PET-UNK-14142a25-10
0.629
LUO-POS-868e8996-11
0.629
MAT-POS-c7726e07-6
0.629
LUO-POS-868e8996-12
0.629
EDJ-MED-8bb691af-4
0.629
MAT-POS-c7726e07-5
0.629
PET-UNK-14142a25-1
0.629
LUO-POS-9931618f-1
0.629
MIK-ENA-37e0b697-1
0.629
LUO-POS-9931618f-2
0.629
MIK-ENA-794411b8-1
0.629
VLA-UNK-f2612802-1
0.618
ALP-POS-41e2080f-1
0.598
EDJ-MED-94fddcec-4
0.598
EDJ-MED-d4864bdc-3
0.598
VLA-UNK-61877630-4
0.591
VLA-UNK-8e615992-1
0.591
VLA-UNK-5d8210f0-1
0.591
ALP-POS-c3a90b22-6
0.591
ALP-POS-c3a90b22-5
0.586
MAT-POS-566864e2-4
0.582
MAT-POS-576f7758-1
0.582
ALP-POS-ecbed2ba-7
0.582
MAT-POS-69786b79-1
0.582
LUO-POS-e1dab717-1
0.582
MAT-POS-566864e2-3
0.582
MAT-POS-e48723dc-2
0.580
MIK-ENA-1494235a-1
0.580
MIK-ENA-4ed700b1-1
0.580
MAT-POS-576f7758-2
0.580
LUO-POS-e1dab717-2
0.580
EDJ-MED-976a33d5-1
0.580
MAT-POS-e48723dc-1
0.580
MIK-ENA-4a1c9a78-1
0.580
EDJ-MED-f9b78f78-4
0.575
ALP-POS-4483ae88-1
0.575
JOH-MSK-4bb3d434-1
0.573
VLA-UNK-5d8210f0-2
0.571
MAT-POS-69786b79-3
0.571
VLA-UNK-61877630-5
0.571
VLA-UNK-8e615992-2
0.571
ALP-POS-c3a90b22-2
0.571
EDJ-MED-98c0a822-3
0.570
ALP-POS-c3a90b22-1
0.570
ALP-POS-c3a90b22-4
0.570
ALP-POS-afe0272e-2
0.569
MAT-POS-e75f6e44-6
0.565
LUO-POS-e1dab717-19
0.565
ALP-POS-afe0272e-1
0.564
EDJ-MED-7587a9ee-3
0.561
EDJ-MED-33064c06-3
0.560
EDJ-MED-33064c06-13
0.560
EDJ-MED-98c0a822-4
0.560
ALP-POS-c3a90b22-3
0.560
MAT-POS-e75f6e44-7
0.557
EDJ-MED-40e596c8-1
0.554
BRU-THA-ae0174a8-1
0.553
ALP-POS-ecbed2ba-14
0.553
EDJ-MED-33064c06-5
0.552
EDJ-MED-6b23330e-6
0.552
PET-UNK-14142a25-2
0.549
PET-UNK-14142a25-11
0.549
EDJ-MED-6b23330e-5
0.548
EDJ-MED-6b23330e-1
0.548
EDJ-MED-6b23330e-2
0.548
MAT-POS-e75f6e44-4
0.548
EDJ-MED-6b23330e-7
0.548
MAT-POS-e75f6e44-2
0.548
MAT-POS-e75f6e44-3
0.548
EDJ-MED-40e596c8-3
0.547
LUO-POS-ed2cfb03-2
0.545
ALP-POS-133e7cd9-1
0.545
VLA-UNK-8e615992-3
0.545
EDJ-MED-33064c06-1
0.543
EDJ-MED-33064c06-15
0.543
EDJ-MED-6b23330e-4
0.543
EDJ-MED-3af0740c-1
0.543
EDJ-MED-33064c06-4
0.542
MAT-POS-e75f6e44-20
0.542
ALP-POS-c3a90b22-10
0.542
ALP-POS-c3a90b22-9
0.542
EDJ-MED-33064c06-11
0.542
VLA-UNK-5d8210f0-3
0.540
EDJ-MED-33064c06-2
0.539
EDJ-MED-33064c06-18
0.539
ALP-POS-ecbed2ba-12
0.539
MAT-POS-69786b79-2
0.539
MAT-POS-566864e2-1
0.539
MAT-POS-566864e2-2
0.539
MAT-POS-e75f6e44-1
0.539
MAT-POS-e75f6e44-5
0.539
EDJ-MED-33064c06-12
0.538