Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)CCC1 |
| MW: | 494.12 |
| Fraction sp3: | 0.32 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 103.16 |
| cLogP: | 4.45 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.0599600169440398 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
Hetero_hetero
MAT-POS-5cd9ea36-5
0.957
MAT-POS-dc2604c4-1
0.946
MAT-POS-e194df51-1
0.946
MAT-POS-e194df51-2
0.946
MAT-POS-bf364d7a-9
0.870
MAT-POS-bf364d7a-10
0.870
MAT-POS-5cd9ea36-6
0.870
JOH-SUS-07b743f6-3
0.866
MAT-POS-bf364d7a-11
0.861
MAT-POS-bf364d7a-12
0.861
MAT-POS-5cd9ea36-7
0.861
MAT-POS-777f5926-3
0.848
MAT-POS-dc2604c4-3
0.848
MAT-POS-777f5926-4
0.848
ALP-POS-07e1ed01-1
0.848
ALP-POS-07e1ed01-2
0.840
PET-UNK-94036022-1
0.827
PET-UNK-94036022-8
0.827
XIA-UNK-284f966f-1
0.827
JOH-SUS-07b743f6-6
0.808
PET-UNK-615ad708-5
0.796
PET-UNK-ff046148-1
0.796
PET-UNK-615ad708-2
0.796
MAT-POS-dc2604c4-2
0.794
JOH-SUS-07b743f6-1
0.784
MAT-POS-dd1fff26-1
0.780
MAT-POS-dd1fff26-2
0.780
MAT-POS-5cd9ea36-9
0.780
MAT-POS-5cd9ea36-10
0.780
ALP-POS-6f6ae286-4
0.779
MAT-POS-5cd9ea36-8
0.777
JOH-SUS-07b743f6-2
0.777
XIA-UNK-c8ef6831-1
0.765
ALP-POS-395d3f9b-1
0.765
MAT-POS-4223bc15-6
0.760
EDJ-MED-be9e6f63-4
0.760
EDJ-MED-7889e8da-4
0.760
MAT-POS-5cd9ea36-24
0.758
MAT-POS-bf364d7a-8
0.757
EDJ-MED-76744c27-4
0.757
MAT-POS-bf364d7a-7
0.757
ALF-EVA-07677224-7
0.757
ALP-POS-c56c1477-1
0.752
BRU-THA-4b053743-1
0.752
BRU-THA-d60fe444-1
0.745
PET-UNK-af70882d-2
0.743
MAT-POS-81ae2990-9
0.740
ALF-EVA-07677224-9
0.740
MAT-POS-b4d6b7fc-9
0.740
MAT-POS-dc2604c4-4
0.735
EDJ-MED-76744c27-6
0.735
MAT-POS-bf364d7a-1
0.733
MAT-POS-bf364d7a-2
0.733
EDJ-MED-be9e6f63-2
0.733
EDJ-MED-7889e8da-2
0.733
EDJ-MED-4fff0a85-3
0.733
PET-UNK-af70882d-4
0.733
MAT-POS-4223bc15-5
0.730
EDJ-MED-76744c27-3
0.723
MAT-POS-bf364d7a-6
0.721
PET-UNK-af70882d-1
0.721
MAT-POS-bf364d7a-5
0.721
EDJ-MED-76744c27-1
0.721
MAT-POS-5cd9ea36-1
0.721
EDJ-MED-76744c27-5
0.716
PET-UNK-af70882d-3
0.716
EDJ-MED-7f6e5b75-1
0.716
ANN-CHE-e1757302-4
0.714
MAT-POS-5cd9ea36-12
0.714
MAT-POS-c7726e07-8
0.713
EDJ-MED-be9e6f63-3
0.713
MAT-POS-c7726e07-7
0.713
EDJ-MED-378a25ea-25
0.713
MAT-POS-4223bc15-4
0.712
EDJ-MED-4fff0a85-2
0.712
MAT-POS-5cd9ea36-11
0.712
EDJ-MED-378a25ea-9
0.710
EDJ-MED-7889e8da-6
0.710
EDJ-MED-378a25ea-12
0.710
MAT-POS-bf364d7a-3
0.705
MAT-POS-bf364d7a-4
0.705
EDJ-MED-4fff0a85-4
0.705
EDJ-MED-378a25ea-10
0.704
EDJ-MED-378a25ea-11
0.704
PET-UNK-de87a406-1
0.702
MAT-POS-22373164-2
0.700
EDJ-MED-be9e6f63-1
0.697
ANN-CHE-e1757302-1
0.695
ANN-CHE-e1757302-2
0.695
MAT-POS-4223bc15-14
0.695
ALF-EVA-0e90125c-4
0.695
MAT-POS-dd3ad2b5-4
0.694
MAT-POS-24589f88-2
0.694
MAT-POS-24589f88-3
0.694
EDJ-MED-378a25ea-2
0.694
MAT-POS-78ab8081-4
0.694
PET-UNK-d61f3ea6-3
0.692
PET-UNK-2337ec19-1
0.692
PET-UNK-2337ec19-3
0.692
MAT-POS-97ec4bd1-2
0.691