Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 415.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 12.3210110969047 |
Order Status | |
Shipped: | 2021-05-06 |
Hetero_hetero
MAT-POS-dd3ad2b5-4
1.000
MAT-POS-24589f88-2
1.000
MAT-POS-4223bc15-1
0.821
MAT-POS-4223bc15-6
0.821
PET-UNK-d61f3ea6-2
0.812
MAT-POS-4223bc15-2
0.812
MAT-POS-4223bc15-3
0.800
BEN-DND-32596b04-7
0.793
MAT-POS-5cd9ea36-17
0.784
MAT-POS-4223bc15-13
0.782
BRU-THA-d60fe444-1
0.782
BRU-THA-98e973b9-1
0.782
MAT-POS-dd1fff26-1
0.780
MAT-POS-dd1fff26-2
0.780
MAT-POS-5cd9ea36-10
0.780
MAT-POS-4223bc15-29
0.775
MAT-POS-5cd9ea36-4
0.775
EDJ-MED-1981ceba-2
0.773
BEN-DND-32596b04-8
0.769
MAT-POS-5cd9ea36-19
0.767
MAT-POS-5cd9ea36-20
0.767
PET-UNK-af70882d-3
0.767
EDJ-MED-76744c27-5
0.767
PET-UNK-af70882d-4
0.767
EDJ-MED-7f6e5b75-1
0.767
MAT-POS-4223bc15-5
0.764
MAT-POS-4223bc15-7
0.764
MAT-POS-4223bc15-15
0.764
MAT-POS-5cd9ea36-2
0.764
EDJ-MED-4fff0a85-2
0.761
PET-UNK-d61f3ea6-3
0.758
MAT-POS-5cd9ea36-16
0.758
EDJ-MED-76744c27-3
0.756
PET-UNK-d61f3ea6-1
0.756
MAT-POS-5cd9ea36-24
0.756
XIA-UNK-50bd045a-1
0.753
EDJ-MED-1981ceba-3
0.750
EDJ-MED-1981ceba-5
0.750
RAL-THA-ee48ba5f-5
0.750
PET-UNK-de87a406-1
0.750
BEN-DND-32596b04-2
0.750
MAT-POS-5cd9ea36-3
0.747
MAT-POS-4223bc15-9
0.747
MAT-POS-61f37a1a-2
0.747
PET-UNK-03fd2068-3
0.747
PET-UNK-f4e47ebd-10
0.744
MAT-POS-4223bc15-4
0.742
MAT-POS-4223bc15-11
0.742
ANN-CHE-e1757302-1
0.742
ANN-CHE-e1757302-2
0.742
MAT-POS-4223bc15-10
0.742
BEN-DND-32596b04-5
0.742
ALF-EVA-0e90125c-4
0.742
BEN-DND-f2e727cd-6
0.741
MAT-POS-dd3ad2b5-1
0.741
PET-UNK-615ad708-5
0.739
EDJ-MED-1981ceba-4
0.739
ALF-EVA-07677224-3
0.739
PET-UNK-ff046148-1
0.739
PET-UNK-615ad708-2
0.739
PET-UNK-af70882d-2
0.739
ALF-EVA-07677224-9
0.737
ALF-EVA-07677224-4
0.734
MAT-POS-bf364d7a-6
0.734
BEN-DND-32596b04-9
0.734
MAT-POS-bf364d7a-5
0.734
PET-UNK-af70882d-1
0.734
MAT-POS-5cd9ea36-1
0.734
EDJ-MED-76744c27-1
0.734
ALF-EVA-07677224-1
0.734
MAT-POS-5cd9ea36-23
0.734
EDJ-MED-1981ceba-1
0.731
EDJ-MED-76744c27-6
0.731
MAT-POS-dc2604c4-4
0.731
ALF-EVA-07677224-2
0.731
PET-UNK-03fd2068-4
0.730
EDJ-MED-4fff0a85-3
0.729
MAT-POS-bf364d7a-1
0.729
MAT-POS-bf364d7a-2
0.729
PET-UNK-f4e47ebd-9
0.727
EDJ-MED-76744c27-7
0.726
MAT-POS-4223bc15-31
0.726
MAT-POS-5cd9ea36-18
0.726
EDJ-MED-76744c27-2
0.726
MAT-POS-dd3ad2b5-2
0.724
PET-UNK-9b23ef84-2
0.724
RAL-THA-6e4c80cf-1
0.724
MAT-POS-4223bc15-19
0.724
MAT-POS-4223bc15-8
0.723
MAT-POS-4223bc15-14
0.723
MAT-POS-4223bc15-30
0.723
BEN-DND-32596b04-1
0.723
ALF-EVA-0e90125c-5
0.723
ALF-EVA-07677224-6
0.723
MAT-POS-5cd9ea36-9
0.723
MAT-POS-5cd9ea36-11
0.723
JOH-SUS-07b743f6-5
0.723
JOH-SUS-07b743f6-7
0.723
FRA-DIA-6238d354-2
0.719
MAT-POS-bf364d7a-7
0.719