Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)NC2CCC2)Cc2ccc(Cl)cc21 |
MW: | 470.12 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.119600269492344 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
Hetero_hetero
MAT-POS-5cd9ea36-2
0.930
MAT-POS-4223bc15-1
0.800
MAT-POS-5cd9ea36-4
0.777
MAT-POS-5cd9ea36-17
0.766
MAT-POS-4223bc15-29
0.758
MAT-POS-dd3ad2b5-4
0.747
MAT-POS-24589f88-3
0.747
MAT-POS-24589f88-2
0.747
MAT-POS-4223bc15-3
0.742
BEN-DND-32596b04-3
0.737
MAT-POS-4223bc15-9
0.732
MAT-POS-61f37a1a-2
0.732
BEN-DND-32596b04-5
0.727
MAT-POS-4223bc15-13
0.726
MAT-POS-4223bc15-6
0.723
BEN-DND-32596b04-9
0.720
DAR-DIA-5e50e037-1
0.720
EDJ-MED-1981ceba-2
0.719
MAT-POS-4223bc15-2
0.716
PET-UNK-d61f3ea6-2
0.716
MAT-POS-5cd9ea36-20
0.714
BRU-THA-98e973b9-1
0.708
BRU-THA-d60fe444-1
0.708
BEN-DND-32596b04-6
0.706
EDJ-MED-76744c27-3
0.704
PET-UNK-d61f3ea6-1
0.704
BEN-DND-32596b04-7
0.701
MAT-POS-4223bc15-7
0.694
MAT-POS-4223bc15-5
0.694
MAT-POS-4223bc15-15
0.694
PET-UNK-af70882d-2
0.690
PET-UNK-d61f3ea6-3
0.690
EDJ-MED-1981ceba-4
0.690
MAT-POS-5cd9ea36-24
0.687
PET-UNK-af70882d-3
0.680
PET-UNK-af70882d-4
0.680
EDJ-MED-7f6e5b75-1
0.680
EDJ-MED-76744c27-5
0.680
MAT-POS-5cd9ea36-19
0.680
ALF-EVA-0e90125c-4
0.676
MAT-POS-4223bc15-30
0.676
MAT-POS-4223bc15-10
0.676
ALF-EVA-07677224-6
0.676
MAT-POS-4223bc15-8
0.676
MAT-POS-4223bc15-11
0.676
ANN-CHE-e1757302-1
0.676
PET-UNK-615ad708-2
0.673
PET-UNK-615ad708-5
0.673
ALF-EVA-07677224-3
0.673
MAT-POS-5cd9ea36-16
0.673
PET-UNK-ff046148-1
0.673
ALF-EVA-0e90125c-8
0.670
ALF-EVA-07677224-1
0.670
ALF-EVA-07677224-4
0.670
BEN-DND-32596b04-8
0.667
EDJ-MED-76744c27-6
0.667
EDJ-MED-1981ceba-1
0.667
EDJ-MED-1981ceba-3
0.667
EDJ-MED-1981ceba-5
0.667
MAT-POS-dc2604c4-4
0.667
ALF-EVA-07677224-2
0.667
PET-UNK-de87a406-1
0.667
BEN-DND-32596b04-2
0.667
MAT-POS-4223bc15-31
0.663
ANN-CHE-e1757302-4
0.663
ALF-EVA-07677224-10
0.663
BEN-DND-32596b04-1
0.660
MAT-POS-4223bc15-4
0.660
MAT-POS-4223bc15-14
0.660
MAT-POS-5cd9ea36-9
0.660
ANN-CHE-e1757302-2
0.660
ALF-EVA-0e90125c-5
0.660
EDJ-MED-4fff0a85-2
0.660
MAT-POS-5cd9ea36-10
0.660
MAT-POS-5cd9ea36-11
0.660
JOH-SUS-07b743f6-5
0.660
JOH-SUS-07b743f6-7
0.660
MAT-POS-dd1fff26-1
0.660
MAT-POS-dd1fff26-2
0.660
MAT-POS-4223bc15-21
0.660
EDJ-MED-c40d95bc-2
0.660
XIA-UNK-d96e3d51-1
0.657
VLA-UNK-5b0345c3-3
0.657
PET-UNK-d61f3ea6-4
0.657
ALF-EVA-07677224-8
0.657
MAT-POS-dd3ad2b5-2
0.656
PET-UNK-9b23ef84-2
0.656
MAT-POS-4223bc15-16
0.654
MAT-POS-5cd9ea36-1
0.654
MAT-POS-e194df51-2
0.654
MAT-POS-dc2604c4-1
0.654
PET-UNK-af70882d-1
0.654
XIA-UNK-50bd045a-1
0.654
ANN-CHE-e1757302-5
0.654
ANN-CHE-e1757302-3
0.654
MAT-POS-bf364d7a-5
0.654
EDJ-MED-76744c27-1
0.654
MAT-POS-bf364d7a-4
0.654
EDJ-MED-4fff0a85-4
0.654
MAT-POS-5cd9ea36-23
0.654