Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@@H](C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 469.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.58091458138713 |
Order Status | |
Shipped: | 2021-10-20 |
Hetero_hetero
MAT-POS-5cd9ea36-10
1.000
MAT-POS-dd1fff26-1
1.000
ALF-EVA-07677224-9
0.863
MAT-POS-bf364d7a-2
0.854
EDJ-MED-4fff0a85-3
0.854
MAT-POS-bf364d7a-1
0.854
MAT-POS-5cd9ea36-9
0.832
PET-UNK-615ad708-2
0.830
PET-UNK-ff046148-1
0.830
PET-UNK-615ad708-5
0.830
MAT-POS-4223bc15-6
0.813
ALF-EVA-07677224-7
0.806
EDJ-MED-76744c27-4
0.806
MAT-POS-bf364d7a-7
0.806
MAT-POS-bf364d7a-8
0.806
PET-UNK-94036022-1
0.804
MAT-POS-dc2604c4-1
0.804
XIA-UNK-284f966f-1
0.804
PET-UNK-94036022-8
0.804
MAT-POS-e194df51-1
0.804
MAT-POS-e194df51-2
0.804
XIA-UNK-c8ef6831-1
0.796
ALP-POS-395d3f9b-1
0.796
MAT-POS-dc2604c4-2
0.790
JOH-SUS-07b743f6-6
0.786
PET-UNK-af70882d-4
0.781
EDJ-MED-76744c27-5
0.781
MAT-POS-24589f88-3
0.780
MAT-POS-24589f88-2
0.780
MAT-POS-dd3ad2b5-4
0.780
MAT-POS-4223bc15-12
0.780
MAT-POS-81ae2990-3
0.778
BRU-THA-d60fe444-1
0.777
MAT-POS-5cd9ea36-8
0.772
JOH-SUS-07b743f6-3
0.770
MAT-POS-5cd9ea36-5
0.765
ALP-POS-07e1ed01-2
0.765
EDJ-MED-7f6e5b75-1
0.763
PET-UNK-af70882d-3
0.763
JOH-SUS-07b743f6-1
0.762
MAT-POS-4223bc15-5
0.760
EDJ-MED-4fff0a85-2
0.758
MAT-POS-dc2604c4-3
0.755
ALP-POS-07e1ed01-1
0.755
MAT-POS-777f5926-4
0.755
JOH-SUS-07b743f6-2
0.755
MAT-POS-777f5926-3
0.755
EDJ-MED-76744c27-3
0.753
MAT-POS-5cd9ea36-24
0.753
PET-UNK-de87a406-1
0.747
MAT-POS-bf364d7a-9
0.743
MAT-POS-bf364d7a-10
0.743
MAT-POS-5cd9ea36-6
0.743
MAT-POS-5cd9ea36-12
0.743
MAT-POS-5cd9ea36-11
0.740
MAT-POS-4223bc15-4
0.740
ALF-EVA-0e90125c-4
0.740
ANN-CHE-e1757302-1
0.740
ANN-CHE-e1757302-2
0.740
PET-UNK-af70882d-2
0.737
MAT-POS-bf364d7a-11
0.736
MAT-POS-5cd9ea36-7
0.736
MAT-POS-bf364d7a-12
0.736
MAT-POS-bf364d7a-6
0.733
MAT-POS-bf364d7a-5
0.733
PET-UNK-af70882d-1
0.733
EDJ-MED-76744c27-1
0.733
MAT-POS-5cd9ea36-1
0.733
MAT-POS-dc2604c4-4
0.730
EDJ-MED-76744c27-6
0.730
EDJ-MED-76744c27-2
0.725
EDJ-MED-76744c27-7
0.725
ANN-CHE-e1757302-4
0.725
MAT-POS-4223bc15-14
0.723
MAT-POS-4223bc15-1
0.719
MAT-POS-bf364d7a-4
0.716
EDJ-MED-4fff0a85-4
0.716
MAT-POS-bf364d7a-3
0.716
ANN-CHE-e1757302-5
0.716
ANN-CHE-e1757302-3
0.716
PET-UNK-d61f3ea6-2
0.711
MAT-POS-4223bc15-2
0.711
MAT-POS-5cd9ea36-17
0.707
ALF-EVA-0e90125c-6
0.705
MAT-POS-4223bc15-3
0.701
BEN-DND-32596b04-7
0.697
BEN-DND-32596b04-8
0.696
EDJ-MED-4fff0a85-1
0.689
BRU-THA-98e973b9-1
0.687
MAT-POS-4223bc15-13
0.687
PET-UNK-d61f3ea6-3
0.686
MAT-POS-5cd9ea36-16
0.686
MAT-POS-4223bc15-29
0.683
MAT-POS-5cd9ea36-4
0.683
MAT-POS-5cd9ea36-23
0.683
ALF-EVA-0e90125c-7
0.682
EDJ-MED-1981ceba-2
0.680
RAL-THA-ee48ba5f-5
0.677
MAT-POS-5cd9ea36-20
0.676
MAT-POS-5cd9ea36-19
0.676