Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)N2CCCC2CO)Cc2ccc(Cl)cc21 |
MW: | 500.13 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.84 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.14001430491369 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-05-18 |
Hetero_hetero
PET-UNK-d61f3ea6-1
0.743
EDJ-MED-1981ceba-2
0.740
BEN-DND-32596b04-7
0.706
BEN-DND-32596b04-1
0.698
MAT-POS-4223bc15-11
0.698
EDJ-MED-1981ceba-4
0.695
MAT-POS-4223bc15-6
0.693
EDJ-MED-1981ceba-1
0.689
EDJ-MED-1981ceba-5
0.689
BEN-DND-32596b04-2
0.689
MAT-POS-24589f88-2
0.680
MAT-POS-dd3ad2b5-4
0.680
MAT-POS-24589f88-3
0.680
MAT-POS-4223bc15-1
0.676
MAT-POS-4223bc15-3
0.676
EDJ-MED-1981ceba-3
0.673
BEN-DND-32596b04-8
0.673
MAT-POS-4223bc15-5
0.667
PET-UNK-d61f3ea6-4
0.664
PET-UNK-af70882d-2
0.664
BRU-THA-d60fe444-1
0.663
MAT-POS-4223bc15-13
0.663
MAT-POS-5cd9ea36-24
0.660
EDJ-MED-76744c27-3
0.660
EDJ-MED-7f6e5b75-1
0.654
MAT-POS-61f37a1a-2
0.654
MAT-POS-4223bc15-9
0.654
MAT-POS-5cd9ea36-3
0.654
MAT-POS-4223bc15-2
0.654
PET-UNK-d61f3ea6-2
0.654
MAT-POS-5cd9ea36-17
0.651
MAT-POS-5cd9ea36-2
0.651
BRU-THA-98e973b9-1
0.648
MAT-POS-e194df51-1
0.645
MAT-POS-e194df51-2
0.645
MAT-POS-dc2604c4-1
0.645
MAT-POS-5cd9ea36-4
0.645
JOH-SUS-07b743f6-1
0.643
MAT-POS-4223bc15-12
0.643
EDJ-MED-76744c27-6
0.642
MAT-POS-dc2604c4-4
0.642
ANN-CHE-e1757302-4
0.640
PET-UNK-af70882d-3
0.639
MAT-POS-5cd9ea36-20
0.639
PET-UNK-af70882d-4
0.639
EDJ-MED-76744c27-5
0.639
ANN-CHE-e1757302-1
0.636
MAT-POS-4223bc15-8
0.636
MAT-POS-4223bc15-7
0.636
MAT-POS-4223bc15-15
0.636
JOH-SUS-07b743f6-3
0.634
MAT-POS-5cd9ea36-16
0.633
ALF-EVA-07677224-3
0.633
PET-UNK-615ad708-5
0.633
PET-UNK-ff046148-1
0.633
PET-UNK-d61f3ea6-3
0.633
PET-UNK-615ad708-2
0.633
ALP-POS-07e1ed01-2
0.632
MAT-POS-5cd9ea36-5
0.632
JOH-SUS-07b743f6-6
0.631
MAT-POS-bf364d7a-6
0.631
MAT-POS-5cd9ea36-23
0.631
PET-UNK-af70882d-1
0.631
MAT-POS-bf364d7a-5
0.631
PET-UNK-94036022-1
0.631
XIA-UNK-284f966f-1
0.631
PET-UNK-94036022-8
0.631
BEN-DND-32596b04-3
0.631
BEN-DND-32596b04-9
0.631
EDJ-MED-76744c27-1
0.631
MAT-POS-5cd9ea36-1
0.631
MAT-POS-4223bc15-29
0.630
PET-UNK-de87a406-1
0.627
ALF-EVA-07677224-2
0.627
MAT-POS-5cd9ea36-18
0.625
MAT-POS-5cd9ea36-19
0.624
MAT-POS-dc2604c4-2
0.623
MAT-POS-dc2604c4-3
0.623
ALP-POS-07e1ed01-1
0.623
MAT-POS-777f5926-3
0.623
MAT-POS-777f5926-4
0.623
MAT-POS-5cd9ea36-10
0.622
JOH-SUS-07b743f6-5
0.622
MAT-POS-5cd9ea36-9
0.622
JOH-SUS-07b743f6-7
0.622
MAT-POS-4223bc15-14
0.622
MAT-POS-4223bc15-30
0.622
ANN-CHE-e1757302-2
0.622
BEN-DND-32596b04-5
0.622
MAT-POS-5cd9ea36-11
0.622
MAT-POS-dd1fff26-1
0.622
MAT-POS-dd1fff26-2
0.622
MAT-POS-4223bc15-4
0.622
ALF-EVA-0e90125c-4
0.622
EDJ-MED-4fff0a85-2
0.622
MAT-POS-4223bc15-10
0.622
MAT-POS-bf364d7a-7
0.619
MAT-POS-bf364d7a-8
0.619
EDJ-MED-76744c27-4
0.619
ALF-EVA-07677224-7
0.619