Molecular Properties | |
SMILES: | CC1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 484.13 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0515611775431543 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-04-28 |
Hetero_hetero
EDJ-MED-1981ceba-2
0.806
PET-UNK-d61f3ea6-1
0.789
BEN-DND-32596b04-7
0.787
BEN-DND-32596b04-2
0.784
EDJ-MED-1981ceba-5
0.784
EDJ-MED-1981ceba-1
0.765
EDJ-MED-1981ceba-3
0.765
BEN-DND-32596b04-8
0.765
BEN-DND-32596b04-1
0.758
EDJ-MED-1981ceba-4
0.755
MAT-POS-dd3ad2b5-4
0.742
MAT-POS-24589f88-2
0.742
MAT-POS-24589f88-3
0.742
MAT-POS-4223bc15-6
0.737
PET-UNK-d61f3ea6-4
0.735
MAT-POS-4223bc15-2
0.729
MAT-POS-4223bc15-3
0.719
MAT-POS-4223bc15-1
0.719
PET-UNK-d61f3ea6-2
0.711
MAT-POS-4223bc15-13
0.704
MAT-POS-4223bc15-16
0.698
MAT-POS-5cd9ea36-20
0.693
EDJ-MED-7f6e5b75-1
0.693
MAT-POS-5cd9ea36-17
0.690
MAT-POS-5cd9ea36-2
0.690
BRU-THA-98e973b9-1
0.687
BRU-THA-d60fe444-1
0.687
MAT-POS-4223bc15-29
0.683
EDJ-MED-76744c27-3
0.683
MAT-POS-5cd9ea36-4
0.683
ALF-EVA-07677224-4
0.683
MAT-POS-4223bc15-9
0.676
MAT-POS-61f37a1a-2
0.676
PET-UNK-af70882d-3
0.676
PET-UNK-af70882d-4
0.676
EDJ-MED-76744c27-5
0.676
MAT-POS-5cd9ea36-3
0.676
MAT-POS-5cd9ea36-19
0.676
MAT-POS-4223bc15-15
0.673
MAT-POS-4223bc15-5
0.673
MAT-POS-4223bc15-7
0.673
BEN-DND-32596b04-5
0.673
ALF-EVA-0e90125c-5
0.673
ANN-CHE-e1757302-2
0.673
EDJ-MED-4fff0a85-2
0.673
ALF-EVA-07677224-3
0.670
PET-UNK-d61f3ea6-3
0.670
PET-UNK-af70882d-2
0.670
MAT-POS-5cd9ea36-16
0.670
BEN-DND-32596b04-9
0.667
MAT-POS-5cd9ea36-24
0.667
PET-UNK-af70882d-1
0.667
XIA-UNK-50bd045a-1
0.667
MAT-POS-bf364d7a-5
0.667
MAT-POS-5cd9ea36-1
0.667
EDJ-MED-76744c27-1
0.667
MAT-POS-bf364d7a-6
0.667
PET-UNK-de87a406-1
0.663
MAT-POS-4223bc15-31
0.660
ALF-EVA-0e90125c-4
0.657
MAT-POS-4223bc15-8
0.657
ANN-CHE-e1757302-1
0.657
MAT-POS-5cd9ea36-10
0.657
MAT-POS-dd1fff26-1
0.657
MAT-POS-dd1fff26-2
0.657
MAT-POS-4223bc15-4
0.657
PET-UNK-615ad708-2
0.654
PET-UNK-615ad708-5
0.654
PET-UNK-ff046148-1
0.654
ALF-EVA-07677224-1
0.651
MAT-POS-dc2604c4-1
0.651
ALF-EVA-0e90125c-8
0.651
MAT-POS-5cd9ea36-23
0.651
MAT-POS-e194df51-1
0.651
MAT-POS-e194df51-2
0.651
XIA-UNK-284f966f-1
0.651
PET-UNK-94036022-1
0.651
PET-UNK-94036022-8
0.651
BEN-DND-f2e727cd-6
0.649
MAT-POS-dd3ad2b5-1
0.649
MAT-POS-dc2604c4-4
0.648
EDJ-MED-76744c27-6
0.648
ALF-EVA-07677224-2
0.648
EDJ-MED-76744c27-2
0.645
EDJ-MED-76744c27-7
0.645
ANN-CHE-e1757302-4
0.645
MAT-POS-5cd9ea36-18
0.645
RAL-THA-ee48ba5f-5
0.644
ALF-EVA-07677224-6
0.642
JOH-SUS-07b743f6-5
0.642
MAT-POS-4223bc15-10
0.642
JOH-SUS-07b743f6-7
0.642
MAT-POS-4223bc15-30
0.642
MAT-POS-5cd9ea36-9
0.642
MAT-POS-5cd9ea36-11
0.642
MAT-POS-4223bc15-14
0.642
BEN-DND-32596b04-6
0.639
ALF-EVA-07677224-7
0.639
EDJ-MED-76744c27-4
0.639
ALF-EVA-07677224-9
0.639