Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 481.1 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0642674089334712 |
Order Status | |
Ordered: | 2021-05-04 |
Synthesis Location: | enamine |
Shipped: | 2021-06-02 |
Hetero_hetero
MAT-POS-4223bc15-2
PET-UNK-6da3dcd8-20
PET-UNK-6da3dcd8-19
PET-UNK-6da3dcd8-18
PET-UNK-6da3dcd8-13
PET-UNK-6da3dcd8-10
PET-UNK-6da3dcd8-9
PET-UNK-6da3dcd8-7
PET-UNK-6da3dcd8-6
PET-UNK-6da3dcd8-4
PET-UNK-6da3dcd8-3
PET-UNK-6da3dcd8-2
PET-UNK-6da3dcd8-1
PET-UNK-6da3dcd8-8
PET-UNK-6da3dcd8-5
PET-UNK-6da3dcd8-15
PET-UNK-6da3dcd8-14
PET-UNK-6da3dcd8-12
PET-UNK-6da3dcd8-11
PET-UNK-6da3dcd8-17
PET-UNK-6da3dcd8-16
BEN-DND-32596b04-7
0.824
EDJ-MED-1981ceba-2
0.804
PET-UNK-d61f3ea6-1
0.787
EDJ-MED-1981ceba-3
0.781
EDJ-MED-1981ceba-5
0.763
EDJ-MED-1981ceba-1
0.763
BEN-DND-32596b04-2
0.763
BEN-DND-32596b04-8
0.763
BEN-DND-f06bfa8e-3
0.758
ALP-POS-6f6ae286-6
0.758
MAT-POS-4223bc15-11
0.755
BEN-DND-32596b04-1
0.755
PET-UNK-d61f3ea6-4
0.750
MAT-POS-24589f88-2
0.739
MAT-POS-24589f88-3
0.739
MAT-POS-dd3ad2b5-4
0.739
MAT-POS-4223bc15-10
0.737
EDJ-MED-139368ae-4
0.737
MAT-POS-4223bc15-6
0.734
MAT-POS-5cd9ea36-24
0.732
MAT-POS-4223bc15-2
0.726
RAL-THA-ee48ba5f-3
0.723
MAT-POS-4223bc15-1
0.716
MAT-POS-4223bc15-3
0.716
PET-UNK-d61f3ea6-2
0.708
MAT-POS-5cd9ea36-2
0.704
JOH-SUS-07b743f6-5
0.703
JOH-SUS-07b743f6-7
0.703
BRU-THA-98e973b9-1
0.701
MAT-POS-4223bc15-13
0.701
BRU-THA-d60fe444-1
0.701
PET-UNK-d61f3ea6-3
0.700
ALF-EVA-07677224-3
0.700
MAT-POS-5cd9ea36-4
0.697
JOH-SUS-07b743f6-4
0.696
JOH-SUS-07b743f6-6
0.696
MAT-POS-4223bc15-16
0.695
EDJ-MED-76744c27-6
0.693
MAT-POS-dc2604c4-4
0.693
EDJ-MED-7f6e5b75-1
0.690
MAT-POS-5cd9ea36-3
0.690
MAT-POS-4223bc15-7
0.687
MAT-POS-4223bc15-5
0.687
MAT-POS-4223bc15-15
0.687
MAT-POS-5cd9ea36-17
0.687
MAT-POS-4223bc15-29
0.680
EDJ-MED-76744c27-3
0.680
MAT-POS-5cd9ea36-1
0.680
XIA-UNK-50bd045a-1
0.680
PET-UNK-af70882d-1
0.680
MAT-POS-bf364d7a-6
0.680
MAT-POS-dc2604c4-1
0.680
BEN-DND-32596b04-9
0.680
MAT-POS-bf364d7a-5
0.680
EDJ-MED-76744c27-1
0.680
MAT-POS-e194df51-1
0.680
MAT-POS-e194df51-2
0.680
DAR-DIA-5e50e037-1
0.680
ALF-EVA-07677224-2
0.676
MAT-POS-4223bc15-9
0.673
PET-UNK-af70882d-4
0.673
MAT-POS-5cd9ea36-19
0.673
MAT-POS-61f37a1a-2
0.673
PET-UNK-af70882d-3
0.673
EDJ-MED-76744c27-5
0.673
MAT-POS-5cd9ea36-20
0.673
MAT-POS-5cd9ea36-18
0.673
ALP-POS-d054b76b-3
0.670
PET-UNK-615ad708-5
0.667
PET-UNK-af70882d-2
0.667
PET-UNK-ff046148-1
0.667
MAT-POS-5cd9ea36-16
0.667
JOH-SUS-07b743f6-3
0.667
ALP-POS-d054b76b-4
0.667
PET-UNK-615ad708-2
0.667
EDJ-MED-4fff0a85-4
0.663
MAT-POS-bf364d7a-3
0.663
MAT-POS-bf364d7a-4
0.663
MAT-POS-4223bc15-12
0.660
MAT-POS-5cd9ea36-21
0.660
JOH-SUS-07b743f6-1
0.660
PET-UNK-de87a406-1
0.660
ALF-EVA-0e90125c-3
0.657
MAT-POS-4223bc15-31
0.657
ALP-POS-07e1ed01-1
0.654
MAT-POS-777f5926-4
0.654
MAT-POS-dc2604c4-3
0.654
JOH-SUS-07b743f6-2
0.654
MAT-POS-5cd9ea36-8
0.654
MAT-POS-777f5926-3
0.654
MAT-POS-4223bc15-14
0.654
MAT-POS-dd1fff26-1
0.654
MAT-POS-dd1fff26-2
0.654
ALF-EVA-0e90125c-4
0.654
ALF-EVA-0e90125c-5
0.654
MAT-POS-4223bc15-4
0.654
ANN-CHE-e1757302-1
0.654
ANN-CHE-e1757302-2
0.654
EDJ-MED-4fff0a85-2
0.654
MAT-POS-4223bc15-8
0.654