Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)CC2CC2(F)F)Cc2ccc(Cl)cc21 |
| MW: | 491.09 |
| Fraction sp3: | 0.3 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 4.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.15944803202751 |
| Order Status | |
| Ordered: | 2021-07-11 |
| Synthesis Location: | enamine |
| Shipped: | 2021-08-05 |
Hetero_hetero
MAT-POS-5cd9ea36-12
0.853
BRU-THA-d60fe444-1
0.815
EDJ-MED-76744c27-3
0.809
MAT-POS-4223bc15-6
0.793
MAT-POS-4223bc15-14
0.776
MAT-POS-5cd9ea36-9
0.776
ANN-CHE-e1757302-5
0.768
EDJ-MED-4fff0a85-4
0.768
MAT-POS-bf364d7a-3
0.768
MAT-POS-bf364d7a-4
0.768
PET-UNK-af70882d-3
0.763
MAT-POS-4223bc15-5
0.760
XIA-UNK-c8ef6831-1
0.760
PET-UNK-615ad708-2
0.755
PET-UNK-615ad708-5
0.755
PET-UNK-ff046148-1
0.755
MAT-POS-5cd9ea36-24
0.753
PET-UNK-de87a406-1
0.747
JOH-SUS-07b743f6-1
0.745
PET-UNK-af70882d-4
0.745
EDJ-MED-7f6e5b75-1
0.745
EDJ-MED-76744c27-5
0.745
ALP-POS-395d3f9b-1
0.743
MAT-POS-dd1fff26-1
0.740
MAT-POS-dd1fff26-2
0.740
ALF-EVA-0e90125c-4
0.740
MAT-POS-5cd9ea36-10
0.740
EDJ-MED-4fff0a85-1
0.738
JOH-SUS-07b743f6-2
0.738
PET-UNK-af70882d-2
0.737
PET-UNK-94036022-1
0.733
PET-UNK-94036022-8
0.733
MAT-POS-dc2604c4-1
0.733
MAT-POS-e194df51-1
0.733
MAT-POS-e194df51-2
0.733
XIA-UNK-284f966f-1
0.733
JOH-SUS-07b743f6-6
0.733
EDJ-MED-76744c27-6
0.730
MAT-POS-dc2604c4-4
0.730
MAT-POS-dd3ad2b5-4
0.723
MAT-POS-24589f88-2
0.723
MAT-POS-24589f88-3
0.723
MAT-POS-4223bc15-4
0.723
ANN-CHE-e1757302-1
0.723
ANN-CHE-e1757302-2
0.723
EDJ-MED-4fff0a85-2
0.723
MAT-POS-bf364d7a-7
0.718
MAT-POS-bf364d7a-8
0.718
EDJ-MED-76744c27-4
0.718
ALF-EVA-07677224-7
0.718
ALF-EVA-07677224-9
0.718
JOH-SUS-07b743f6-3
0.718
MAT-POS-5cd9ea36-1
0.716
PET-UNK-af70882d-1
0.716
ANN-CHE-e1757302-3
0.716
MAT-POS-bf364d7a-6
0.716
MAT-POS-bf364d7a-5
0.716
EDJ-MED-76744c27-1
0.716
MAT-POS-5cd9ea36-5
0.714
MAT-POS-4223bc15-12
0.712
EDJ-MED-4fff0a85-3
0.712
MAT-POS-bf364d7a-1
0.712
MAT-POS-bf364d7a-2
0.712
MAT-POS-4223bc15-2
0.711
ANN-CHE-e1757302-4
0.709
EDJ-MED-76744c27-7
0.709
EDJ-MED-76744c27-2
0.709
MAT-POS-5cd9ea36-17
0.707
MAT-POS-5cd9ea36-8
0.705
MAT-POS-777f5926-3
0.705
ALP-POS-07e1ed01-1
0.705
MAT-POS-dc2604c4-2
0.705
MAT-POS-777f5926-4
0.705
MAT-POS-dc2604c4-3
0.705
BRU-THA-98e973b9-1
0.704
MAT-POS-4223bc15-13
0.704
MAT-POS-4223bc15-1
0.701
MAT-POS-4223bc15-3
0.701
ALP-POS-07e1ed01-2
0.698
PET-UNK-d61f3ea6-2
0.694
ALF-EVA-0e90125c-6
0.689
MAT-POS-bf364d7a-12
0.688
MAT-POS-bf364d7a-11
0.688
MAT-POS-5cd9ea36-7
0.688
MAT-POS-5cd9ea36-16
0.686
MAT-POS-5cd9ea36-4
0.683
MAT-POS-5cd9ea36-23
0.683
ALF-EVA-0e90125c-7
0.682
EDJ-MED-1981ceba-2
0.680
BEN-DND-32596b04-7
0.680
BEN-DND-32596b04-8
0.680
MAT-POS-bf364d7a-9
0.679
MAT-POS-5cd9ea36-6
0.679
MAT-POS-bf364d7a-10
0.679
MAT-POS-4223bc15-9
0.676
MAT-POS-5cd9ea36-19
0.676
MAT-POS-61f37a1a-2
0.676
MAT-POS-5cd9ea36-20
0.676
MAT-POS-4223bc15-7
0.673
MAT-POS-4223bc15-15
0.673