Molecular Properties | |
SMILES: | CN1CC(C#N)(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 509.13 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 106.4 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.151025362035984 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2022-01-12 |
Hetero_hetero
MAT-POS-e194df51-1
0.866
MAT-POS-e194df51-2
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MAT-POS-dc2604c4-1
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JOH-SUS-07b743f6-3
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MAT-POS-4223bc15-12
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ALP-POS-07e1ed01-1
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MAT-POS-dc2604c4-3
0.832
MAT-POS-777f5926-3
0.832
MAT-POS-777f5926-4
0.832
MAT-POS-5cd9ea36-5
0.824
MAT-POS-5cd9ea36-6
0.817
MAT-POS-bf364d7a-9
0.817
MAT-POS-bf364d7a-10
0.817
MAT-POS-5cd9ea36-7
0.810
MAT-POS-bf364d7a-11
0.810
MAT-POS-bf364d7a-12
0.810
PET-UNK-94036022-8
0.792
JOH-SUS-07b743f6-6
0.792
PET-UNK-94036022-1
0.792
XIA-UNK-284f966f-1
0.792
JOH-SUS-07b743f6-1
0.769
MAT-POS-5cd9ea36-10
0.765
MAT-POS-dd1fff26-1
0.765
MAT-POS-dd1fff26-2
0.765
MAT-POS-4223bc15-6
0.763
PET-UNK-615ad708-5
0.762
PET-UNK-ff046148-1
0.762
PET-UNK-615ad708-2
0.762
MAT-POS-5cd9ea36-8
0.762
JOH-SUS-07b743f6-2
0.762
EDJ-MED-4fff0a85-3
0.752
MAT-POS-bf364d7a-1
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MAT-POS-bf364d7a-2
0.752
MAT-POS-5cd9ea36-9
0.748
MAT-POS-dc2604c4-2
0.745
MAT-POS-bf364d7a-7
0.743
MAT-POS-bf364d7a-8
0.743
ALF-EVA-07677224-7
0.743
ALF-EVA-07677224-9
0.743
EDJ-MED-76744c27-4
0.743
MAT-POS-5cd9ea36-24
0.743
PET-UNK-af70882d-4
0.735
ALP-POS-395d3f9b-1
0.733
XIA-UNK-c8ef6831-1
0.733
BRU-THA-d60fe444-1
0.730
MAT-POS-bf364d7a-6
0.724
PET-UNK-af70882d-1
0.724
MAT-POS-bf364d7a-5
0.724
EDJ-MED-76744c27-1
0.724
MAT-POS-5cd9ea36-1
0.724
EDJ-MED-76744c27-6
0.721
MAT-POS-dc2604c4-4
0.721
EDJ-MED-7f6e5b75-1
0.718
EDJ-MED-76744c27-5
0.718
PET-UNK-af70882d-3
0.718
MAT-POS-4223bc15-5
0.716
EDJ-MED-4fff0a85-2
0.714
PET-UNK-af70882d-2
0.712
EDJ-MED-76744c27-3
0.709
MAT-POS-bf364d7a-4
0.708
MAT-POS-bf364d7a-3
0.708
EDJ-MED-4fff0a85-4
0.708
PET-UNK-de87a406-1
0.705
MAT-POS-5cd9ea36-11
0.698
ALF-EVA-0e90125c-4
0.698
ANN-CHE-e1757302-2
0.698
MAT-POS-4223bc15-4
0.698
MAT-POS-24589f88-2
0.697
MAT-POS-24589f88-3
0.697
MAT-POS-dd3ad2b5-4
0.697
EDJ-MED-be9e6f63-4
0.695
PET-UNK-d61f3ea6-3
0.695
EDJ-MED-7889e8da-4
0.695
ANN-CHE-e1757302-5
0.692
ALP-POS-c56c1477-1
0.689
BRU-THA-4b053743-1
0.689
PET-UNK-d61f3ea6-2
0.686
EDJ-MED-76744c27-2
0.685
EDJ-MED-76744c27-7
0.685
MAT-POS-5cd9ea36-12
0.685
ANN-CHE-e1757302-4
0.685
MAT-POS-5cd9ea36-17
0.683
ANN-CHE-e1757302-1
0.682
MAT-POS-4223bc15-14
0.682
EDJ-MED-378a25ea-9
0.682
EDJ-MED-7889e8da-6
0.682
MAT-POS-81ae2990-9
0.679
MAT-POS-b4d6b7fc-9
0.679
MAT-POS-4223bc15-1
0.676
ANN-CHE-e1757302-3
0.676
EDJ-MED-378a25ea-10
0.676
BEN-DND-32596b04-2
0.673
EDJ-MED-1981ceba-5
0.673
EDJ-MED-7889e8da-2
0.673
EDJ-MED-be9e6f63-2
0.673
MAT-POS-4223bc15-2
0.670
MAT-POS-c7726e07-8
0.670
EDJ-MED-378a25ea-25
0.670
EDJ-MED-be9e6f63-3
0.670
MAT-POS-c7726e07-7
0.670