Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3c2CCCC3)C1 |
MW: | 419.11 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.642464753438547 |
Order Status | |
Ordered: | 2021-04-27 |
Synthesis Location: | enamine |
Shipped: | 2021-05-26 |
Hetero_hetero
BEN-DND-f06bfa8e-9
0.719
BEN-DND-f06bfa8e-8
0.711
BEN-DND-f06bfa8e-10
0.696
BEN-DND-f06bfa8e-7
0.688
EDJ-MED-d1555997-2
0.600
ROB-CAM-4c532489-1
0.588
PET-UNK-b1ef24dc-27
0.583
PET-UNK-b38839dc-6
0.583
PET-UNK-e274cad4-8
0.573
MAT-POS-24589f88-2
0.573
MAT-POS-24589f88-3
0.573
MAT-POS-dd3ad2b5-4
0.573
PET-UNK-f4e47ebd-10
0.573
EDJ-MED-d1555997-1
0.571
PET-UNK-b1ef24dc-25
0.567
PET-UNK-03fd2068-3
0.561
PET-UNK-b1ef24dc-26
0.561
PET-UNK-e274cad4-3
0.561
PET-UNK-b1ef24dc-28
0.561
PET-UNK-7f7e354d-4
0.561
PET-UNK-f4e47ebd-9
0.561
FRA-DIA-6238d354-2
0.556
PET-UNK-03fd2068-4
0.550
PET-UNK-158bee2a-15
0.549
PET-UNK-b38839dc-8
0.549
PET-UNK-f4e47ebd-12
0.539
PET-UNK-f4e47ebd-11
0.534
ALP-POS-4483ae88-3
0.533
PET-UNK-b38839dc-7
0.529
PET-UNK-158bee2a-14
0.527
PET-UNK-158bee2a-16
0.522
ALP-POS-4483ae88-4
0.510
MIK-UNK-78dbf1b8-1
0.510
MIK-UNK-58cd43d0-1
0.510
PET-UNK-158bee2a-13
0.485
PET-UNK-b1ef24dc-31
0.472
PET-UNK-b38839dc-9
0.472
MAT-POS-4223bc15-1
0.467
MAT-POS-4223bc15-6
0.467
ALF-EVA-07677224-4
0.464
MAT-POS-4223bc15-2
0.462
PET-UNK-d61f3ea6-2
0.462
EDJ-MED-343bb62d-3
0.462
MAT-POS-81ae2990-1
0.460
PET-UNK-d61f3ea6-1
0.459
MAT-POS-5cd9ea36-4
0.459
BRU-THA-d60fe444-1
0.458
PET-UNK-7f7e354d-5
0.458
PET-UNK-b1ef24dc-29
0.458
EDJ-MED-841e0cf0-7
0.458
EDJ-MED-670ad2ee-10
0.458
EDJ-MED-670ad2ee-9
0.458
EDJ-MED-ee742daa-4
0.457
ALP-UNI-8d415491-2
0.455
MAT-POS-5cd9ea36-10
0.455
MAT-POS-dd1fff26-2
0.455
MAT-POS-dd1fff26-1
0.455
MAT-POS-5cd9ea36-3
0.455
MAT-POS-5cd9ea36-20
0.455
PET-UNK-af70882d-4
0.455
EDJ-MED-670ad2ee-7
0.454
PET-UNK-b1ef24dc-30
0.454
PET-UNK-b1ef24dc-32
0.454
BEN-DND-32596b04-7
0.454
EDJ-MED-841e0cf0-6
0.454
EDJ-MED-670ad2ee-8
0.454
EDJ-MED-1981ceba-2
0.454
MAT-POS-4223bc15-3
0.453
XIA-UNK-50bd045a-1
0.451
MAT-POS-4223bc15-5
0.450
MAT-POS-5cd9ea36-2
0.450
MAT-POS-5cd9ea36-17
0.450
MAT-POS-81ae2990-3
0.447
EDJ-MED-1981ceba-3
0.446
PET-UNK-b38839dc-11
0.446
BEN-DND-32596b04-8
0.446
MAT-POS-4223bc15-29
0.445
EDJ-MED-841e0cf0-5
0.444
EDJ-MED-670ad2ee-6
0.444
MAT-POS-4223bc15-13
0.444
BRU-THA-98e973b9-1
0.444
EDJ-MED-670ad2ee-5
0.444
MAT-POS-81ae2990-2
0.443
JUL-TUD-06b2044f-49
0.443
MAT-POS-4223bc15-4
0.442
ALF-EVA-0e90125c-4
0.442
EDJ-MED-4fff0a85-2
0.442
ANN-CHE-e1757302-1
0.442
ANN-CHE-e1757302-2
0.442
ALF-EVA-07677224-6
0.442
ALF-EVA-0e90125c-5
0.442
EDJ-MED-c7fc9efa-2
0.442
PET-UNK-af70882d-3
0.441
EDJ-MED-76744c27-5
0.441
MAT-POS-5cd9ea36-19
0.441
EDJ-MED-7f6e5b75-1
0.441
MAT-POS-4223bc15-9
0.441
MAT-POS-61f37a1a-2
0.441
ALP-POS-df536be7-2
0.441
MAT-POS-13080fc6-3
0.441