Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1 |
MW: | 485.12 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0674589121697558 |
Order Status | |
Ordered: | 2021-09-08 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Hetero_hetero
MAT-POS-bf364d7a-8
1.000
ALF-EVA-07677224-7
1.000
EDJ-MED-76744c27-4
1.000
MAT-POS-dc2604c4-2
0.936
MAT-POS-5cd9ea36-10
0.806
MAT-POS-dd1fff26-1
0.806
MAT-POS-dd1fff26-2
0.806
PET-UNK-615ad708-5
0.804
PET-UNK-615ad708-2
0.804
PET-UNK-ff046148-1
0.804
PET-UNK-af70882d-4
0.794
MAT-POS-5cd9ea36-9
0.788
MAT-POS-4223bc15-6
0.787
MAT-POS-81ae2990-6
0.784
MAT-POS-dc2604c4-1
0.780
MAT-POS-e194df51-1
0.780
MAT-POS-e194df51-2
0.780
PET-UNK-94036022-1
0.780
PET-UNK-94036022-8
0.780
XIA-UNK-284f966f-1
0.780
XIA-UNK-c8ef6831-1
0.772
ALP-POS-395d3f9b-1
0.772
ALF-EVA-07677224-9
0.765
JOH-SUS-07b743f6-6
0.762
EDJ-MED-7f6e5b75-1
0.758
EDJ-MED-4fff0a85-3
0.757
MAT-POS-4223bc15-12
0.757
MAT-POS-bf364d7a-1
0.757
MAT-POS-bf364d7a-2
0.757
BRU-THA-d60fe444-1
0.753
MAT-POS-4223bc15-4
0.752
MAT-POS-5cd9ea36-8
0.750
JOH-SUS-07b743f6-3
0.748
MAT-POS-5cd9ea36-5
0.743
ALP-POS-07e1ed01-2
0.743
JOH-SUS-07b743f6-1
0.740
PET-UNK-af70882d-3
0.740
EDJ-MED-76744c27-5
0.740
MAT-POS-97ec4bd1-1
0.738
EDJ-MED-76744c27-2
0.738
EDJ-MED-76744c27-7
0.738
MAT-POS-4223bc15-5
0.737
ALF-EVA-0e90125c-4
0.735
MAT-POS-777f5926-4
0.733
ALP-POS-07e1ed01-1
0.733
JOH-SUS-07b743f6-2
0.733
MAT-POS-777f5926-3
0.733
MAT-POS-dc2604c4-3
0.733
EDJ-MED-76744c27-3
0.730
MAT-POS-5cd9ea36-24
0.730
PET-UNK-de87a406-1
0.725
MAT-POS-5cd9ea36-6
0.722
MAT-POS-bf364d7a-9
0.722
MAT-POS-bf364d7a-10
0.722
MAT-POS-5cd9ea36-12
0.721
MAT-POS-dd3ad2b5-4
0.719
MAT-POS-24589f88-3
0.719
MAT-POS-24589f88-2
0.719
ANN-CHE-e1757302-2
0.718
EDJ-MED-4fff0a85-2
0.718
MAT-POS-5cd9ea36-11
0.718
PET-UNK-af70882d-2
0.716
MAT-POS-5cd9ea36-7
0.716
MAT-POS-bf364d7a-11
0.716
MAT-POS-bf364d7a-12
0.716
MAT-POS-bf364d7a-5
0.712
ANN-CHE-e1757302-5
0.712
EDJ-MED-76744c27-1
0.712
MAT-POS-5cd9ea36-1
0.712
MAT-POS-bf364d7a-6
0.712
PET-UNK-af70882d-1
0.712
MAT-POS-dc2604c4-4
0.709
EDJ-MED-76744c27-6
0.709
MAT-POS-4223bc15-14
0.702
ANN-CHE-e1757302-1
0.702
MAT-POS-4223bc15-1
0.697
ANN-CHE-e1757302-3
0.695
MAT-POS-bf364d7a-3
0.695
MAT-POS-bf364d7a-4
0.695
EDJ-MED-4fff0a85-4
0.695
ALF-EVA-0e90125c-7
0.694
MAT-POS-81ae2990-4
0.692
PET-UNK-d61f3ea6-2
0.690
MAT-POS-4223bc15-2
0.690
ANN-CHE-e1757302-4
0.689
MAT-POS-5cd9ea36-17
0.686
ALF-EVA-0e90125c-6
0.685
MAT-POS-81ae2990-5
0.685
MAT-POS-4223bc15-13
0.683
MAT-POS-5cd9ea36-16
0.683
MAT-POS-4223bc15-3
0.680
BEN-DND-32596b04-7
0.676
EDJ-MED-1981ceba-3
0.676
EDJ-MED-4fff0a85-1
0.670
MAT-POS-5cd9ea36-22
0.670
PET-UNK-d61f3ea6-3
0.667
BRU-THA-98e973b9-1
0.667
MAT-POS-5cd9ea36-23
0.664
MAT-POS-4223bc15-29
0.663
MAT-POS-5cd9ea36-4
0.663