Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21 |
MW: | 456.1 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.158076506007061 |
Order Status | |
Ordered: | 2021-05-04 |
Synthesis Location: | enamine |
Shipped: | 2021-06-02 |
Hetero_hetero
MAT-POS-4223bc15-2
PET-UNK-d61f3ea6-1
0.952
EDJ-MED-1981ceba-1
0.856
EDJ-MED-1981ceba-5
0.856
BEN-DND-32596b04-2
0.856
BEN-DND-32596b04-1
0.846
BEN-DND-32596b04-7
0.841
MAT-POS-4223bc15-11
0.806
EDJ-MED-1981ceba-4
0.804
EDJ-MED-1981ceba-3
0.796
BEN-DND-32596b04-8
0.796
PET-UNK-d61f3ea6-4
0.781
MAT-POS-dd3ad2b5-4
0.773
MAT-POS-24589f88-2
0.773
MAT-POS-24589f88-3
0.773
MAT-POS-4223bc15-6
0.767
MAT-POS-4223bc15-2
0.758
PET-UNK-af70882d-2
0.747
MAT-POS-4223bc15-3
0.747
MAT-POS-4223bc15-1
0.747
MAT-POS-4223bc15-16
0.740
PET-UNK-d61f3ea6-2
0.739
MAT-POS-4223bc15-13
0.731
BRU-THA-98e973b9-1
0.731
BRU-THA-d60fe444-1
0.731
MAT-POS-5cd9ea36-4
0.726
MAT-POS-5cd9ea36-24
0.726
EDJ-MED-139368ae-2
0.725
XIA-UNK-50bd045a-1
0.724
MAT-POS-61f37a1a-2
0.719
PET-UNK-af70882d-3
0.719
MAT-POS-4223bc15-9
0.719
EDJ-MED-7f6e5b75-1
0.719
MAT-POS-5cd9ea36-3
0.719
MAT-POS-4223bc15-31
0.717
MAT-POS-4223bc15-7
0.716
MAT-POS-4223bc15-15
0.716
MAT-POS-4223bc15-5
0.716
MAT-POS-5cd9ea36-2
0.716
MAT-POS-5cd9ea36-17
0.716
MAT-POS-5cd9ea36-16
0.711
EDJ-MED-76744c27-3
0.708
MAT-POS-4223bc15-29
0.708
ALF-EVA-0e90125c-8
0.707
PET-UNK-af70882d-4
0.701
MAT-POS-5cd9ea36-19
0.701
MAT-POS-5cd9ea36-20
0.701
EDJ-MED-76744c27-5
0.701
ALF-EVA-07677224-5
0.700
ANN-CHE-e1757302-4
0.700
ALF-EVA-0e90125c-4
0.697
JOH-SUS-07b743f6-5
0.697
JOH-SUS-07b743f6-7
0.697
PET-UNK-615ad708-2
0.694
PET-UNK-d61f3ea6-3
0.694
ALF-EVA-07677224-3
0.694
PET-UNK-ff046148-1
0.694
PET-UNK-615ad708-5
0.694
ALF-EVA-07677224-8
0.693
BEN-DND-32596b04-6
0.693
XIA-UNK-d96e3d51-1
0.692
MAT-POS-e194df51-2
0.690
MAT-POS-dc2604c4-1
0.690
PET-UNK-94036022-1
0.690
MAT-POS-5cd9ea36-23
0.690
MAT-POS-e194df51-1
0.690
JOH-SUS-07b743f6-4
0.690
XIA-UNK-284f966f-1
0.690
PET-UNK-94036022-8
0.690
MAT-POS-dc2604c4-4
0.687
PET-UNK-de87a406-1
0.687
EDJ-MED-76744c27-6
0.687
ALF-EVA-07677224-2
0.687
EDJ-MED-e18764cb-3
0.686
MAT-POS-51135489-1
0.686
MAT-POS-af1eef35-2
0.686
MAT-POS-4223bc15-12
0.686
MAT-POS-5cd9ea36-18
0.683
XIA-UNK-c8ef6831-1
0.683
MAT-POS-4223bc15-4
0.680
MAT-POS-4223bc15-8
0.680
MAT-POS-4223bc15-10
0.680
MAT-POS-4223bc15-30
0.680
MAT-POS-4223bc15-14
0.680
ALF-EVA-07677224-6
0.680
BEN-DND-32596b04-5
0.680
ALF-EVA-0e90125c-5
0.680
EDJ-MED-4fff0a85-2
0.680
MAT-POS-5cd9ea36-9
0.680
MAT-POS-5cd9ea36-10
0.680
MAT-POS-5cd9ea36-11
0.680
MAT-POS-dd1fff26-1
0.680
MAT-POS-dd1fff26-2
0.680
ANN-CHE-e1757302-1
0.680
ANN-CHE-e1757302-2
0.680
JOH-SUS-07b743f6-3
0.676
MAT-POS-dd3ad2b5-1
0.674
BEN-DND-f2e727cd-6
0.674
DAR-DIA-5e50e037-1
0.673
MAT-POS-bf364d7a-5
0.673
EDJ-MED-76744c27-1
0.673