Molecular Properties | |
SMILES: | CC(C)NS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 458.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.194727041696987 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Hetero_hetero
MAT-POS-4223bc15-1
0.851
MAT-POS-5cd9ea36-17
0.793
MAT-POS-4223bc15-29
0.785
MAT-POS-5cd9ea36-3
0.777
MAT-POS-dd3ad2b5-4
0.775
MAT-POS-24589f88-2
0.775
MAT-POS-24589f88-3
0.775
MAT-POS-5cd9ea36-2
0.774
BEN-DND-32596b04-5
0.753
MAT-POS-4223bc15-6
0.750
BEN-DND-32596b04-3
0.745
BEN-DND-32596b04-9
0.745
PET-UNK-d61f3ea6-2
0.742
MAT-POS-4223bc15-2
0.742
EDJ-MED-76744c27-5
0.740
MAT-POS-5cd9ea36-19
0.740
EDJ-MED-7f6e5b75-1
0.740
BRU-THA-98e973b9-1
0.734
MAT-POS-4223bc15-3
0.731
BEN-DND-32596b04-6
0.730
DAR-DIA-5e50e037-1
0.727
EDJ-MED-1981ceba-2
0.726
BRU-THA-d60fe444-1
0.716
MAT-POS-4223bc15-13
0.716
MAT-POS-5cd9ea36-24
0.711
PET-UNK-d61f3ea6-1
0.711
BEN-DND-32596b04-7
0.708
PET-UNK-de87a406-1
0.707
MAT-POS-61f37a1a-2
0.704
PET-UNK-af70882d-3
0.704
MAT-POS-4223bc15-9
0.704
PET-UNK-af70882d-4
0.704
MAT-POS-5cd9ea36-20
0.704
ALF-EVA-07677224-10
0.703
MAT-POS-4223bc15-5
0.701
MAT-POS-4223bc15-7
0.701
MAT-POS-4223bc15-15
0.701
ALF-EVA-0e90125c-4
0.700
MAT-POS-4223bc15-30
0.700
EDJ-MED-4fff0a85-2
0.700
PET-UNK-d61f3ea6-3
0.697
EDJ-MED-1981ceba-4
0.697
PET-UNK-af70882d-2
0.697
MAT-POS-5cd9ea36-16
0.697
EDJ-MED-76744c27-3
0.694
PET-UNK-af70882d-1
0.693
XIA-UNK-50bd045a-1
0.693
MAT-POS-bf364d7a-5
0.693
EDJ-MED-76744c27-1
0.693
MAT-POS-5cd9ea36-1
0.693
MAT-POS-bf364d7a-6
0.693
EDJ-MED-76744c27-6
0.690
MAT-POS-dc2604c4-4
0.690
BEN-DND-32596b04-8
0.690
EDJ-MED-1981ceba-3
0.690
EDJ-MED-1981ceba-5
0.690
BEN-DND-32596b04-2
0.690
EDJ-MED-76744c27-7
0.686
EDJ-MED-76744c27-2
0.686
ALF-EVA-07677224-6
0.683
MAT-POS-4223bc15-4
0.683
MAT-POS-4223bc15-11
0.683
ANN-CHE-e1757302-2
0.683
MAT-POS-5cd9ea36-10
0.683
MAT-POS-5cd9ea36-11
0.683
MAT-POS-dd1fff26-1
0.683
MAT-POS-dd1fff26-2
0.683
PET-UNK-615ad708-2
0.680
PET-UNK-615ad708-5
0.680
ALF-EVA-07677224-3
0.680
PET-UNK-ff046148-1
0.680
ALF-EVA-07677224-8
0.680
MAT-POS-dd3ad2b5-1
0.677
BEN-DND-f2e727cd-6
0.677
ALF-EVA-07677224-4
0.676
ALF-EVA-07677224-1
0.676
MAT-POS-5cd9ea36-23
0.676
ALF-EVA-07677224-2
0.673
EDJ-MED-1981ceba-1
0.673
BEN-DND-32596b04-4
0.673
MAT-POS-af1eef35-2
0.673
MAT-POS-51135489-1
0.673
EDJ-MED-e18764cb-3
0.673
RAL-THA-ee48ba5f-5
0.670
MAT-POS-4223bc15-31
0.670
ANN-CHE-e1757302-4
0.670
MAT-POS-5cd9ea36-18
0.670
JOH-SUS-07b743f6-5
0.667
MAT-POS-4223bc15-14
0.667
MAT-POS-dc2604c4-2
0.667
ALF-EVA-0e90125c-5
0.667
MAT-POS-5cd9ea36-22
0.667
MAT-POS-4223bc15-8
0.667
MAT-POS-4223bc15-10
0.667
MAT-POS-4223bc15-18
0.667
BEN-DND-32596b04-1
0.667
ANN-CHE-e1757302-1
0.667
MAT-POS-5cd9ea36-9
0.667
JOH-SUS-07b743f6-7
0.667
ALF-EVA-07677224-9
0.663