Molecular Properties | |
SMILES: | N#CCS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 440.07 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.16 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.329871609118043 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-05 |
Hetero_hetero
BRU-THA-d60fe444-1
0.831
MAT-POS-4223bc15-6
0.830
EDJ-MED-76744c27-6
0.817
MAT-POS-dc2604c4-4
0.817
MAT-POS-5cd9ea36-1
0.800
PET-UNK-af70882d-1
0.800
MAT-POS-bf364d7a-6
0.800
MAT-POS-bf364d7a-5
0.800
EDJ-MED-76744c27-1
0.800
JOH-SUS-07b743f6-6
0.800
PET-UNK-af70882d-3
0.796
MAT-POS-4223bc15-5
0.793
MAT-POS-5cd9ea36-8
0.786
EDJ-MED-76744c27-3
0.785
MAT-POS-dc2604c4-1
0.781
MAT-POS-e194df51-1
0.781
MAT-POS-e194df51-2
0.781
PET-UNK-af70882d-4
0.777
EDJ-MED-7f6e5b75-1
0.777
EDJ-MED-76744c27-5
0.777
JOH-SUS-07b743f6-1
0.776
ALF-EVA-0e90125c-4
0.771
PET-UNK-615ad708-5
0.768
PET-UNK-af70882d-2
0.768
PET-UNK-ff046148-1
0.768
PET-UNK-615ad708-2
0.768
JOH-SUS-07b743f6-3
0.765
EDJ-MED-4fff0a85-4
0.763
MAT-POS-bf364d7a-3
0.763
MAT-POS-bf364d7a-4
0.763
PET-UNK-de87a406-1
0.760
MAT-POS-4223bc15-12
0.758
MAT-POS-24589f88-2
0.756
MAT-POS-24589f88-3
0.756
MAT-POS-dd3ad2b5-4
0.756
XIA-UNK-c8ef6831-1
0.755
MAT-POS-dd1fff26-1
0.753
MAT-POS-dd1fff26-2
0.753
MAT-POS-4223bc15-4
0.753
ANN-CHE-e1757302-1
0.753
ANN-CHE-e1757302-2
0.753
EDJ-MED-4fff0a85-2
0.753
MAT-POS-5cd9ea36-9
0.753
MAT-POS-5cd9ea36-10
0.753
MAT-POS-5cd9ea36-11
0.753
MAT-POS-4223bc15-14
0.753
ALP-POS-07e1ed01-1
0.750
MAT-POS-777f5926-4
0.750
MAT-POS-dc2604c4-3
0.750
JOH-SUS-07b743f6-2
0.750
MAT-POS-777f5926-3
0.750
ANN-CHE-e1757302-5
0.745
ANN-CHE-e1757302-3
0.745
XIA-UNK-284f966f-1
0.745
PET-UNK-94036022-1
0.745
PET-UNK-94036022-8
0.745
MAT-POS-5cd9ea36-5
0.743
ALP-POS-07e1ed01-2
0.743
MAT-POS-bf364d7a-9
0.738
MAT-POS-5cd9ea36-6
0.738
MAT-POS-bf364d7a-10
0.738
ANN-CHE-e1757302-4
0.737
EDJ-MED-76744c27-7
0.737
EDJ-MED-76744c27-2
0.737
MAT-POS-5cd9ea36-12
0.737
ALP-POS-395d3f9b-1
0.737
MAT-POS-4223bc15-13
0.734
EDJ-MED-1981ceba-4
0.732
PET-UNK-d61f3ea6-3
0.732
ALF-EVA-07677224-3
0.732
MAT-POS-4223bc15-1
0.731
MAT-POS-4223bc15-3
0.731
MAT-POS-bf364d7a-8
0.730
EDJ-MED-76744c27-4
0.730
ALF-EVA-07677224-7
0.730
ALF-EVA-07677224-9
0.730
MAT-POS-bf364d7a-7
0.730
EDJ-MED-1981ceba-2
0.726
MAT-POS-4223bc15-2
0.723
PET-UNK-d61f3ea6-2
0.723
EDJ-MED-4fff0a85-3
0.723
MAT-POS-5cd9ea36-21
0.723
MAT-POS-bf364d7a-1
0.723
MAT-POS-bf364d7a-2
0.723
MAT-POS-5cd9ea36-18
0.720
MAT-POS-5cd9ea36-17
0.719
MAT-POS-4223bc15-7
0.719
BRU-THA-98e973b9-1
0.716
MAT-POS-dc2604c4-2
0.716
EDJ-MED-4fff0a85-1
0.716
ALF-EVA-0e90125c-6
0.716
MAT-POS-bf364d7a-11
0.714
MAT-POS-5cd9ea36-7
0.714
MAT-POS-bf364d7a-12
0.714
MAT-POS-4223bc15-29
0.711
PET-UNK-d61f3ea6-1
0.711
MAT-POS-5cd9ea36-4
0.711
BEN-DND-32596b04-9
0.710
JOH-SUS-07b743f6-4
0.710
ALF-EVA-0e90125c-7
0.709