Molecular Properties | |
SMILES: | CN(CCC#N)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 483.11 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 106.4 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0849569289828852 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-11 |
Hetero_hetero
MAT-POS-5cd9ea36-23
0.845
MAT-POS-5cd9ea36-18
0.837
MAT-POS-5cd9ea36-16
0.833
MAT-POS-5cd9ea36-22
0.812
MAT-POS-4223bc15-2
0.789
MAT-POS-af1eef35-2
0.784
MAT-POS-51135489-1
0.784
EDJ-MED-e18764cb-3
0.784
EDJ-MED-ede277f6-1
0.779
BEN-DND-32596b04-4
0.767
EDJ-MED-ede277f6-2
0.762
MAT-POS-5cd9ea36-20
0.750
MAT-POS-5cd9ea36-19
0.750
MAT-POS-dc2604c4-4
0.735
EDJ-MED-76744c27-6
0.735
MAT-POS-4223bc15-6
0.724
MAT-POS-5cd9ea36-24
0.723
PET-UNK-af70882d-3
0.716
ALF-EVA-0e90125c-4
0.712
MAT-POS-dd3ad2b5-4
0.711
MAT-POS-24589f88-2
0.711
MAT-POS-24589f88-3
0.711
BRU-THA-d60fe444-1
0.693
MAT-POS-4223bc15-1
0.690
PET-UNK-af70882d-1
0.689
MAT-POS-bf364d7a-5
0.689
EDJ-MED-76744c27-1
0.689
MAT-POS-5cd9ea36-1
0.689
JOH-SUS-07b743f6-6
0.689
MAT-POS-bf364d7a-6
0.689
EDJ-MED-ede277f6-3
0.688
PET-UNK-d61f3ea6-2
0.683
EDJ-MED-76744c27-5
0.683
PET-UNK-af70882d-4
0.683
EDJ-MED-7f6e5b75-1
0.683
MAT-POS-4223bc15-5
0.680
MAT-POS-5cd9ea36-17
0.680
EDJ-MED-4fff0a85-2
0.679
PET-UNK-d61f3ea6-3
0.676
BEN-DND-32596b04-6
0.676
MAT-POS-4223bc15-3
0.673
EDJ-MED-76744c27-3
0.673
MAT-POS-dc2604c4-1
0.673
MAT-POS-e194df51-1
0.673
MAT-POS-e194df51-2
0.673
EDJ-MED-1981ceba-2
0.670
PET-UNK-de87a406-1
0.670
EDJ-MED-76744c27-7
0.667
EDJ-MED-76744c27-2
0.667
MAT-POS-5cd9ea36-8
0.664
ANN-CHE-e1757302-1
0.664
ANN-CHE-e1757302-2
0.664
MAT-POS-4223bc15-4
0.664
MAT-POS-dd1fff26-2
0.664
MAT-POS-5cd9ea36-10
0.664
JOH-SUS-07b743f6-5
0.664
JOH-SUS-07b743f6-7
0.664
MAT-POS-dd1fff26-1
0.664
MAT-POS-5cd9ea36-11
0.664
JOH-SUS-07b743f6-3
0.661
PET-UNK-615ad708-5
0.660
PET-UNK-ff046148-1
0.660
EDJ-MED-1981ceba-4
0.660
ALF-EVA-07677224-3
0.660
PET-UNK-af70882d-2
0.660
PET-UNK-615ad708-2
0.660
MAT-POS-4223bc15-13
0.660
BRU-THA-98e973b9-1
0.660
ALP-POS-07e1ed01-2
0.658
ANN-CHE-e1757302-3
0.657
DAR-DIA-5e50e037-1
0.657
MAT-POS-bf364d7a-3
0.657
BEN-DND-32596b04-9
0.657
EDJ-MED-4fff0a85-4
0.657
JOH-SUS-07b743f6-4
0.657
MAT-POS-bf364d7a-4
0.657
MAT-POS-4223bc15-29
0.657
PET-UNK-d61f3ea6-1
0.657
MAT-POS-5cd9ea36-4
0.657
MAT-POS-4223bc15-12
0.655
JOH-SUS-07b743f6-1
0.655
EDJ-MED-1981ceba-5
0.654
EDJ-MED-1981ceba-3
0.654
BEN-DND-32596b04-2
0.654
BEN-DND-32596b04-7
0.654
MAT-POS-5cd9ea36-12
0.651
RAL-THA-ee48ba5f-2
0.651
ALP-POS-07e1ed01-1
0.649
MAT-POS-dc2604c4-3
0.649
MAT-POS-777f5926-4
0.649
JOH-SUS-07b743f6-2
0.649
MAT-POS-777f5926-3
0.649
MAT-POS-4223bc15-14
0.648
BEN-DND-32596b04-5
0.648
MAT-POS-5cd9ea36-9
0.648
MAT-POS-4223bc15-10
0.648
MAT-POS-4223bc15-7
0.648
MAT-POS-4223bc15-15
0.648
MAT-POS-5cd9ea36-2
0.648
PET-UNK-162c14b2-1
0.647