Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)C2CC2)Cc2ccc(Cl)cc21 |
MW: | 441.09 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.310304857188634 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-04-21 |
Hetero_hetero
MAT-POS-4223bc15-7
0.860
MAT-POS-4223bc15-15
0.860
MAT-POS-4223bc15-13
0.837
MAT-POS-4223bc15-8
0.833
MAT-POS-4223bc15-10
0.813
MAT-POS-24589f88-3
0.800
MAT-POS-4223bc15-9
0.800
MAT-POS-61f37a1a-2
0.800
MAT-POS-dd3ad2b5-4
0.800
MAT-POS-24589f88-2
0.800
ALF-EVA-0e90125c-3
0.796
MAT-POS-4223bc15-6
0.773
MAT-POS-4223bc15-1
0.773
ALF-EVA-07677224-4
0.766
PET-UNK-d61f3ea6-2
0.764
MAT-POS-4223bc15-2
0.764
MAT-POS-5cd9ea36-2
0.758
EDJ-MED-841e0cf0-5
0.756
EDJ-MED-670ad2ee-5
0.756
EDJ-MED-670ad2ee-6
0.756
BRU-THA-98e973b9-1
0.756
BRU-THA-d60fe444-1
0.756
JOH-SUS-07b743f6-5
0.755
JOH-SUS-07b743f6-7
0.755
EDJ-MED-76744c27-3
0.750
JOH-SUS-07b743f6-4
0.747
EDJ-MED-1981ceba-2
0.747
BEN-DND-32596b04-7
0.747
MAT-POS-5cd9ea36-3
0.742
MAT-POS-5cd9ea36-20
0.742
PET-UNK-af70882d-3
0.742
PET-UNK-af70882d-4
0.742
MAT-POS-5cd9ea36-17
0.739
MAT-POS-4223bc15-5
0.739
ANN-CHE-e1757302-1
0.737
MAT-POS-4223bc15-29
0.731
PET-UNK-d61f3ea6-1
0.731
MAT-POS-5cd9ea36-4
0.731
MAT-POS-5cd9ea36-24
0.731
EDJ-MED-1981ceba-1
0.726
MAT-POS-5cd9ea36-19
0.723
EDJ-MED-76744c27-5
0.723
EDJ-MED-7f6e5b75-1
0.723
MAT-POS-5cd9ea36-9
0.719
MAT-POS-4223bc15-4
0.719
MAT-POS-4223bc15-11
0.719
EDJ-MED-1981ceba-4
0.716
PET-UNK-d61f3ea6-3
0.716
ALF-EVA-07677224-3
0.716
PET-UNK-ff046148-1
0.716
PET-UNK-615ad708-2
0.716
MAT-POS-5cd9ea36-16
0.716
PET-UNK-af70882d-2
0.716
PET-UNK-615ad708-5
0.716
MAT-POS-5cd9ea36-23
0.711
ANN-CHE-e1757302-3
0.711
EDJ-MED-1981ceba-3
0.708
EDJ-MED-1981ceba-5
0.708
EDJ-MED-76744c27-6
0.708
MAT-POS-dc2604c4-4
0.708
ALF-EVA-07677224-2
0.708
BEN-DND-32596b04-8
0.708
PET-UNK-de87a406-1
0.708
BEN-DND-32596b04-2
0.708
MAT-POS-4223bc15-14
0.701
MAT-POS-4223bc15-30
0.701
BEN-DND-32596b04-1
0.701
BEN-DND-32596b04-5
0.701
ALF-EVA-0e90125c-4
0.701
ALF-EVA-0e90125c-5
0.701
MAT-POS-dd1fff26-1
0.701
MAT-POS-dd1fff26-2
0.701
ALF-EVA-07677224-6
0.701
EDJ-MED-4fff0a85-2
0.701
MAT-POS-5cd9ea36-10
0.701
MAT-POS-5cd9ea36-11
0.701
ANN-CHE-e1757302-2
0.701
MAT-POS-dd3ad2b5-3
0.700
EDJ-MED-4fff0a85-1
0.700
ALF-EVA-07677224-9
0.697
MAT-POS-dd3ad2b5-1
0.697
BEN-DND-f2e727cd-6
0.697
MAT-POS-e194df51-1
0.694
MAT-POS-bf364d7a-4
0.694
MAT-POS-bf364d7a-6
0.694
BEN-DND-32596b04-9
0.694
MAT-POS-bf364d7a-5
0.694
PET-UNK-af70882d-1
0.694
MAT-POS-5cd9ea36-1
0.694
EDJ-MED-76744c27-1
0.694
MAT-POS-dc2604c4-1
0.694
DAR-DIA-5e50e037-1
0.694
ALF-EVA-07677224-1
0.694
EDJ-MED-4fff0a85-4
0.694
XIA-UNK-284f966f-1
0.694
PET-UNK-94036022-8
0.694
BEN-DND-32596b04-3
0.694
MAT-POS-e194df51-2
0.694
JOH-SUS-07b743f6-6
0.694
MAT-POS-bf364d7a-3
0.694