Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2S1(=O)=O)NCC1CC1 |
| MW: | 524.13 |
| Fraction sp3: | 0.35 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 99.68 |
| cLogP: | 3.09 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.202766791018038 |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-20 |
Activated haloaromatics
LUO-POS-e1dab717-11
0.842
ALP-POS-4483ae88-2
0.812
MAT-POS-566864e2-1
0.658
MAT-POS-566864e2-2
0.658
ALP-POS-ecbed2ba-12
0.658
EDJ-MED-4cb9dd84-1
0.652
VLA-UNK-f2612802-2
0.643
EDJ-MED-976a33d5-3
0.634
MAT-POS-e75f6e44-13
0.626
EDJ-MED-98c0a822-2
0.621
ALP-POS-c3a90b22-11
0.621
EDJ-MED-98c0a822-1
0.617
MAT-POS-e75f6e44-20
0.602
EDJ-MED-33064c06-4
0.602
MIK-ENA-9eb8d9fb-1
0.592
VLA-UNK-f2612802-3
0.590
MAT-POS-e75f6e44-18
0.588
MAT-POS-e75f6e44-21
0.583
MAT-POS-e75f6e44-16
0.583
MAT-POS-e75f6e44-14
0.580
EDJ-MED-33064c06-6
0.579
EDJ-MED-59d5ca70-1
0.579
ALP-POS-c3a90b22-12
0.575
EDJ-MED-33064c06-9
0.575
EDJ-MED-59d5ca70-2
0.575
EDJ-MED-d4864bdc-3
0.560
ALP-POS-41e2080f-1
0.560
EDJ-MED-94fddcec-4
0.560
VLA-UNK-f2612802-1
0.555
EDJ-MED-40e596c8-5
0.555
EDJ-MED-40e596c8-3
0.554
BRU-THA-ae0174a8-1
0.546
EDJ-MED-6b23330e-6
0.545
MAT-POS-e75f6e44-2
0.542
EDJ-MED-40e596c8-4
0.541
EDJ-MED-f9b78f78-4
0.540
ALP-POS-4483ae88-1
0.540
JOH-MSK-4bb3d434-1
0.538
MAT-POS-e75f6e44-7
0.537
EDJ-MED-3af0740c-1
0.537
MAT-POS-c7726e07-5
0.534
LUO-POS-868e8996-11
0.534
MAT-POS-c7726e07-6
0.534
LUO-POS-868e8996-12
0.534
MIK-ENA-37e0b697-1
0.534
PET-UNK-14142a25-1
0.534
LUO-POS-9931618f-1
0.534
LUO-POS-9931618f-2
0.534
MIK-ENA-794411b8-1
0.534
EDJ-MED-8bb691af-4
0.534
PET-UNK-14142a25-10
0.534
EDJ-MED-8bb691af-8
0.534
ALP-POS-ecbed2ba-14
0.533
MAT-POS-69786b79-2
0.533
EDJ-MED-33064c06-2
0.533
EDJ-MED-33064c06-18
0.533
MAT-POS-e75f6e44-1
0.533
MAT-POS-e75f6e44-5
0.533
EDJ-MED-33064c06-5
0.533
MAT-POS-e75f6e44-6
0.533
MAT-POS-e75f6e44-15
0.533
LUO-POS-e1dab717-19
0.530
EDJ-MED-6b23330e-2
0.529
EDJ-MED-6b23330e-5
0.529
MAT-POS-e75f6e44-4
0.529
EDJ-MED-33064c06-8
0.529
EDJ-MED-4cb9dd84-3
0.529
EDJ-MED-6b23330e-7
0.529
EDJ-MED-6b23330e-1
0.529
MAT-POS-e75f6e44-10
0.528
EDJ-MED-33064c06-16
0.528
EDJ-MED-33064c06-3
0.528
MAT-POS-e75f6e44-11
0.528
MAT-POS-69786b79-3
0.525
EDJ-MED-40e596c8-2
0.525
MAT-POS-e75f6e44-17
0.525
EDJ-MED-6b23330e-4
0.525
EDJ-MED-33064c06-1
0.525
EDJ-MED-33064c06-17
0.524
JAG-UCB-f37eaa14-9
0.522
EDJ-MED-4cb9dd84-2
0.521
MIK-ENA-434a856c-1
0.521
MIK-ENA-93ef1e28-1
0.521
MAT-POS-e75f6e44-12
0.520
MAT-POS-e75f6e44-19
0.520
EDJ-MED-33064c06-12
0.520
EDJ-MED-33064c06-14
0.520
ALP-POS-c3a90b22-6
0.517
MAT-POS-e75f6e44-3
0.516
EDJ-MED-33064c06-10
0.516
EDJ-MED-7587a9ee-3
0.513
VLA-UNK-3bd6fc51-1
0.513
ALP-POS-c3a90b22-5
0.512
EDJ-MED-33064c06-15
0.512
ALP-POS-ecbed2ba-5
0.512
LUO-POS-e1dab717-1
0.508
MAT-POS-69786b79-1
0.508
MAT-POS-566864e2-3
0.508
MAT-POS-566864e2-4
0.508
ALP-POS-ecbed2ba-7
0.508