Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 444.1 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.96994145456133 |
Order Status | |
Ordered: | 2021-09-06 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
Hetero_hetero
EDJ-MED-b774e9fe-2
0.791
EDJ-MED-2791eece-6
0.791
EDJ-MED-487c5e9f-2
0.787
EDJ-MED-036ae2e9-3
0.764
EDJ-MED-2791eece-8
0.764
EDJ-MED-b774e9fe-3
0.764
EDJ-MED-2791eece-10
0.744
EDJ-MED-487c5e9f-10
0.726
EDJ-MED-036ae2e9-10
0.720
EDJ-MED-487c5e9f-9
0.720
EDJ-MED-036ae2e9-9
0.720
EDJ-MED-036ae2e9-7
0.713
EDJ-MED-036ae2e9-11
0.701
EDJ-MED-036ae2e9-2
0.696
EDJ-MED-487c5e9f-8
0.694
EDJ-MED-487c5e9f-7
0.691
EDJ-MED-487c5e9f-3
0.690
EDJ-MED-487c5e9f-11
0.684
MAT-POS-fb82b63d-3
0.678
EDJ-MED-487c5e9f-6
0.677
EDJ-MED-036ae2e9-12
0.677
EDJ-MED-487c5e9f-5
0.677
EDJ-MED-b774e9fe-1
0.663
EDJ-MED-2791eece-2
0.663
ALP-POS-d054b76b-2
0.663
EDJ-MED-2791eece-7
0.660
EDJ-MED-2791eece-12
0.649
EDJ-MED-036ae2e9-1
0.638
EDJ-MED-487c5e9f-12
0.626
EDJ-MED-2791eece-5
0.622
EDJ-MED-2791eece-1
0.619
MAT-POS-fb82b63d-4
0.619
MAT-POS-4223bc15-2
0.612
EDJ-MED-2791eece-3
0.610
EDJ-MED-2791eece-4
0.600
EDJ-MED-487c5e9f-1
0.596
EDJ-MED-036ae2e9-6
0.588
EDJ-MED-036ae2e9-8
0.587
EDJ-MED-487c5e9f-4
0.587
EDJ-MED-036ae2e9-4
0.583
EDJ-MED-2791eece-9
0.581
ALP-POS-d054b76b-4
0.577
EDJ-MED-036ae2e9-5
0.575
DAR-DIA-4987d2cd-4
0.549
DAR-DIA-0f2f46c9-13
0.549
DAR-DIA-0f2f46c9-14
0.549
MAT-POS-4223bc15-18
0.545
DAR-DIA-4987d2cd-3
0.544
MAT-POS-dd3ad2b5-4
0.540
MAT-POS-24589f88-2
0.540
MAT-POS-24589f88-3
0.540
MAT-POS-4223bc15-24
0.538
MAT-POS-5cd9ea36-20
0.538
MAT-POS-5cd9ea36-19
0.538
ALP-POS-477dc5b7-1
0.536
MAT-POS-fb82b63d-1
0.536
MIC-UNK-91acba05-4
0.536
MAT-POS-5cd9ea36-16
0.533
EDJ-MED-1981ceba-5
0.528
BEN-DND-32596b04-2
0.528
MAT-POS-4223bc15-1
0.524
RAL-THA-4aa06b95-4
0.524
MAT-POS-4223bc15-6
0.524
EDJ-MED-0047eae5-2
0.524
EDJ-MED-1981ceba-2
0.524
PET-UNK-af70882d-3
0.523
RAL-THA-ee48ba5f-2
0.523
MAT-POS-dd3ad2b5-1
0.520
BEN-DND-f2e727cd-6
0.520
PET-UNK-d61f3ea6-2
0.519
EDJ-MED-cf877e1d-1
0.519
MAT-POS-5cd9ea36-23
0.518
BEN-DND-32596b04-4
0.518
MAT-POS-5cd9ea36-21
0.518
MAR-UCB-6ab2ec87-7
0.515
PET-UNK-6da3dcd8-4
0.514
PET-UNK-d61f3ea6-1
0.514
MAT-POS-5cd9ea36-18
0.514
MAT-POS-5cd9ea36-22
0.513
MAT-POS-4223bc15-3
0.510
BEN-DND-32596b04-7
0.509
MAT-POS-4223bc15-11
0.509
ALF-EVA-0e90125c-4
0.509
ALP-POS-d054b76b-1
0.505
RAL-THA-ee48ba5f-5
0.505
PET-UNK-6da3dcd8-3
0.505
MAT-POS-5cd9ea36-17
0.505
PET-UNK-d61f3ea6-3
0.505
EDJ-MED-e18764cb-3
0.504
MAT-POS-af1eef35-2
0.504
MAT-POS-51135489-1
0.504
EDJ-MED-cf877e1d-2
0.500
MAT-POS-5cd9ea36-4
0.500
DAR-DIA-0f2f46c9-5
0.500
MAT-POS-4223bc15-29
0.500
ALP-POS-966f8da6-2
0.500
ALF-EVA-07677224-2
0.500
EDG-MED-5d232de5-3
0.500
EDG-MED-5d232de5-4
0.500
RAL-THA-c11c1343-1
0.500