Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)C2CNC2)Cc2ccc(Cl)cc21 |
MW: | 456.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.273807340288431 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-06-02 |
Hetero_hetero
MAT-POS-4223bc15-3
0.860
MAT-POS-4223bc15-7
0.822
ALF-EVA-0e90125c-3
0.800
MAT-POS-4223bc15-13
0.780
MAT-POS-4223bc15-8
0.779
MAT-POS-4223bc15-10
0.779
MAT-POS-dd3ad2b5-4
0.764
MAT-POS-24589f88-3
0.764
MAT-POS-24589f88-2
0.764
MAT-POS-61f37a1a-2
0.747
MAT-POS-4223bc15-9
0.747
MAT-POS-4223bc15-14
0.742
MAT-POS-4223bc15-1
0.739
MAT-POS-4223bc15-6
0.739
PET-UNK-d61f3ea6-2
0.731
MAT-POS-4223bc15-2
0.731
JOH-SUS-07b743f6-7
0.724
JOH-SUS-07b743f6-5
0.724
BRU-THA-98e973b9-1
0.723
BRU-THA-d60fe444-1
0.723
ALF-EVA-07677224-4
0.717
JOH-SUS-07b743f6-4
0.717
BEN-DND-32596b04-7
0.716
EDJ-MED-1981ceba-2
0.716
RAL-THA-ee48ba5f-6
0.714
PET-UNK-af70882d-4
0.711
MAT-POS-5cd9ea36-17
0.708
MAT-POS-5cd9ea36-2
0.708
MAT-POS-4223bc15-5
0.708
BEN-DND-32596b04-1
0.707
PET-UNK-615ad708-2
0.704
PET-UNK-ff046148-1
0.704
PET-UNK-615ad708-5
0.704
ALF-EVA-07677224-9
0.703
EDJ-MED-76744c27-3
0.701
MAT-POS-4223bc15-29
0.701
MAT-POS-5cd9ea36-24
0.701
PET-UNK-d61f3ea6-1
0.701
MAT-POS-5cd9ea36-4
0.701
ANN-CHE-e1757302-3
0.700
MAT-POS-5cd9ea36-3
0.694
MAT-POS-5cd9ea36-19
0.694
EDJ-MED-7f6e5b75-1
0.694
MAT-POS-5cd9ea36-20
0.694
EDJ-MED-76744c27-5
0.694
PET-UNK-af70882d-3
0.694
ALF-EVA-07677224-10
0.693
ANN-CHE-e1757302-1
0.690
MAT-POS-4223bc15-30
0.690
MAT-POS-5cd9ea36-16
0.687
ALF-EVA-07677224-3
0.687
PET-UNK-af70882d-2
0.687
EDJ-MED-1981ceba-4
0.687
PET-UNK-d61f3ea6-3
0.687
MAT-POS-5cd9ea36-23
0.683
BEN-DND-32596b04-3
0.683
ALF-EVA-07677224-2
0.680
PET-UNK-de87a406-1
0.680
EDJ-MED-1981ceba-3
0.680
MAT-POS-dc2604c4-4
0.680
BEN-DND-32596b04-8
0.680
EDJ-MED-1981ceba-1
0.680
EDJ-MED-1981ceba-5
0.680
EDJ-MED-76744c27-6
0.680
BEN-DND-32596b04-2
0.680
EDJ-MED-76744c27-2
0.676
EDJ-MED-76744c27-7
0.676
ANN-CHE-e1757302-4
0.676
ALF-EVA-07677224-6
0.673
EDJ-MED-4fff0a85-2
0.673
MAT-POS-5cd9ea36-9
0.673
MAT-POS-5cd9ea36-10
0.673
MAT-POS-dd1fff26-1
0.673
ANN-CHE-e1757302-2
0.673
MAT-POS-5cd9ea36-11
0.673
MAT-POS-4223bc15-4
0.673
MAT-POS-4223bc15-11
0.673
ALF-EVA-0e90125c-5
0.673
MAT-POS-dd1fff26-2
0.673
BEN-DND-32596b04-5
0.673
ALF-EVA-0e90125c-4
0.673
MAT-POS-777f5926-4
0.673
MAT-POS-777f5926-3
0.673
MAT-POS-dc2604c4-3
0.673
ALP-POS-07e1ed01-1
0.673
MAT-POS-dd3ad2b5-3
0.670
VLA-UNK-5b0345c3-3
0.670
EDJ-MED-76744c27-1
0.667
XIA-UNK-50bd045a-1
0.667
MAT-POS-5cd9ea36-1
0.667
DAR-DIA-5e50e037-1
0.667
MAT-POS-e194df51-1
0.667
MAT-POS-e194df51-2
0.667
JOH-SUS-07b743f6-6
0.667
MAT-POS-bf364d7a-3
0.667
ANN-CHE-e1757302-5
0.667
PET-UNK-94036022-1
0.667
MAT-POS-dc2604c4-1
0.667
ALF-EVA-07677224-1
0.667
BEN-DND-f2e727cd-6
0.667