Molecular Properties | |
SMILES: | COC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 486.11 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0699501365013084 |
Order Status | |
Ordered: | 2021-05-04 |
Synthesis Location: | enamine |
Shipped: | 2021-06-02 |
Hetero_hetero
MAT-POS-4223bc15-2
BEN-DND-32596b04-7
0.815
EDJ-MED-1981ceba-2
0.796
EDJ-MED-1981ceba-4
0.781
PET-UNK-d61f3ea6-1
0.779
EDJ-MED-1981ceba-5
0.773
BEN-DND-32596b04-2
0.773
BEN-DND-32596b04-8
0.773
MAT-POS-4223bc15-11
0.765
EDJ-MED-1981ceba-1
0.755
MAT-POS-24589f88-3
0.750
MAT-POS-24589f88-2
0.750
MAT-POS-dd3ad2b5-4
0.750
BEN-DND-32596b04-1
0.747
MAT-POS-4223bc15-1
0.745
MAT-POS-4223bc15-6
0.745
EDJ-MED-139368ae-3
0.740
MAT-POS-4223bc15-2
0.737
PET-UNK-d61f3ea6-4
0.725
PET-UNK-d61f3ea6-2
0.719
PET-UNK-af70882d-4
0.717
MAT-POS-5cd9ea36-16
0.710
MAT-POS-4223bc15-3
0.708
EDJ-MED-7f6e5b75-1
0.700
MAT-POS-5cd9ea36-17
0.697
MAT-POS-4223bc15-4
0.696
BRU-THA-d60fe444-1
0.694
MAT-POS-4223bc15-13
0.694
BRU-THA-98e973b9-1
0.694
MAT-POS-4223bc15-29
0.690
MAT-POS-5cd9ea36-4
0.690
MAT-POS-5cd9ea36-20
0.683
EDJ-MED-76744c27-5
0.683
PET-UNK-af70882d-3
0.683
MAT-POS-5cd9ea36-19
0.683
EDJ-MED-76744c27-2
0.683
EDJ-MED-76744c27-7
0.683
MAT-POS-5cd9ea36-2
0.680
MAT-POS-4223bc15-15
0.680
MAT-POS-4223bc15-7
0.680
MAT-POS-4223bc15-5
0.680
ALF-EVA-0e90125c-4
0.680
ANN-CHE-e1757302-2
0.680
MAT-POS-4223bc15-19
0.677
RAL-THA-6e4c80cf-1
0.677
PET-UNK-d61f3ea6-3
0.676
MAT-POS-bf364d7a-7
0.676
MAT-POS-bf364d7a-8
0.676
ALF-EVA-07677224-7
0.676
EDJ-MED-76744c27-4
0.676
MAT-POS-5cd9ea36-24
0.673
EDJ-MED-76744c27-3
0.673
XIA-UNK-50bd045a-1
0.673
MAT-POS-4223bc15-16
0.673
MAT-POS-dc2604c4-4
0.670
EDJ-MED-76744c27-6
0.670
PET-UNK-de87a406-1
0.670
MAT-POS-51135489-1
0.670
MAT-POS-af1eef35-2
0.670
EDJ-MED-e18764cb-3
0.670
MAT-POS-4223bc15-9
0.667
MAT-POS-4223bc15-31
0.667
MAT-POS-61f37a1a-2
0.667
MAT-POS-5cd9ea36-3
0.667
MAT-POS-dc2604c4-2
0.664
MAT-POS-5cd9ea36-22
0.664
MAT-POS-dd1fff26-1
0.663
JOH-SUS-07b743f6-5
0.663
MAT-POS-dd1fff26-2
0.663
BEN-DND-32596b04-5
0.663
EDJ-MED-4fff0a85-2
0.663
MAT-POS-5cd9ea36-10
0.663
PET-UNK-615ad708-5
0.660
ALF-EVA-07677224-3
0.660
PET-UNK-af70882d-2
0.660
PET-UNK-615ad708-2
0.660
PET-UNK-ff046148-1
0.660
MAT-POS-5cd9ea36-23
0.657
MAT-POS-bf364d7a-6
0.657
PET-UNK-af70882d-1
0.657
ALF-EVA-07677224-4
0.657
ALF-EVA-07677224-1
0.657
BEN-DND-32596b04-9
0.657
MAT-POS-bf364d7a-5
0.657
EDJ-MED-76744c27-1
0.657
MAT-POS-5cd9ea36-1
0.657
BEN-DND-f2e727cd-6
0.656
MAT-POS-dd3ad2b5-1
0.656
MAT-POS-5cd9ea36-21
0.654
ALF-EVA-07677224-2
0.654
ANN-CHE-e1757302-4
0.651
MAT-POS-5cd9ea36-18
0.651
RAL-THA-ee48ba5f-5
0.650
MAT-POS-4223bc15-8
0.648
MAT-POS-4223bc15-10
0.648
ALF-EVA-07677224-6
0.648
MAT-POS-4223bc15-14
0.648
MAT-POS-4223bc15-30
0.648
ALF-EVA-0e90125c-5
0.648
ANN-CHE-e1757302-1
0.648
MAT-POS-5cd9ea36-9
0.648