Molecular Properties | |
SMILES: | COCCN1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.88254411198264 |
Order Status | |
Ordered: | 2021-09-06 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
EDJ-MED-2791eece-5
0.723
EDJ-MED-2791eece-1
0.720
MAT-POS-fb82b63d-4
0.720
EDJ-MED-2791eece-7
0.708
EDJ-MED-036ae2e9-6
0.701
MAT-POS-fb82b63d-3
0.692
EDJ-MED-036ae2e9-5
0.683
EDJ-MED-2791eece-9
0.673
EDJ-MED-036ae2e9-11
0.663
EDJ-MED-487c5e9f-1
0.657
EDJ-MED-b774e9fe-1
0.642
EDJ-MED-2791eece-2
0.642
EDJ-MED-b774e9fe-2
0.635
EDJ-MED-2791eece-6
0.635
EDJ-MED-036ae2e9-3
0.633
EDJ-MED-2791eece-12
0.629
EDJ-MED-036ae2e9-2
0.622
EDJ-MED-036ae2e9-1
0.619
EDJ-MED-2791eece-8
0.616
EDJ-MED-b774e9fe-3
0.616
EDJ-MED-036ae2e9-10
0.614
EDJ-MED-2791eece-11
0.610
EDJ-MED-487c5e9f-8
0.610
EDJ-MED-487c5e9f-10
0.606
EDJ-MED-2791eece-10
0.600
EDJ-MED-2791eece-4
0.598
EDJ-MED-036ae2e9-9
0.598
EDJ-MED-036ae2e9-7
0.592
EDJ-MED-487c5e9f-4
0.585
EDJ-MED-036ae2e9-8
0.585
EDJ-MED-487c5e9f-9
0.583
MAT-POS-4223bc15-28
0.577
EDJ-MED-487c5e9f-7
0.575
EDJ-MED-487c5e9f-2
0.569
EDJ-MED-036ae2e9-4
0.566
EDJ-MED-487c5e9f-6
0.565
EDJ-MED-036ae2e9-12
0.565
EDJ-MED-487c5e9f-3
0.564
ALP-POS-d054b76b-2
0.560
EDJ-MED-487c5e9f-11
0.556
EDJ-MED-487c5e9f-5
0.550
RAL-THA-4aa06b95-7
0.538
EDJ-MED-487c5e9f-12
0.526
MAT-POS-4223bc15-4
0.523
ALP-POS-477dc5b7-1
0.520
MAT-POS-fb82b63d-1
0.520
MIC-UNK-91acba05-4
0.520
DAR-DIA-4987d2cd-4
0.519
DAR-DIA-4987d2cd-3
0.514
EDJ-MED-eb111c00-2
0.514
MAT-POS-5cd9ea36-22
0.513
RAL-THA-6e4c80cf-1
0.510
MAT-POS-4223bc15-19
0.510
PET-UNK-af70882d-4
0.509
MAT-POS-dd3ad2b5-1
0.505
BEN-DND-f2e727cd-6
0.505
BEN-DND-a02b439d-3
0.495
MAT-POS-4223bc15-22
0.495
MAT-POS-4223bc15-6
0.495
MAT-POS-24589f88-3
0.495
MAT-POS-dd3ad2b5-4
0.495
MAT-POS-24589f88-2
0.495
ALP-POS-d054b76b-4
0.491
RAL-THA-ee48ba5f-5
0.491
MIC-UNK-482af05e-2
0.491
MAR-UCB-6ab2ec87-6
0.490
MAT-POS-4223bc15-18
0.486
ALP-POS-a577c8a2-2
0.486
VLA-UNK-5b0345c3-3
0.483
RAL-THA-6e4c80cf-2
0.482
MAT-POS-4223bc15-20
0.482
MAT-POS-4223bc15-24
0.482
MAT-POS-4223bc15-1
0.481
PET-UNK-9b23ef84-2
0.481
MAT-POS-dd3ad2b5-2
0.481
EDG-MED-5d232de5-5
0.481
EDG-MED-5d232de5-6
0.481
RAL-THA-8416115c-2
0.481
MIC-UNK-91acba05-6
0.481
MAT-POS-5cd9ea36-16
0.478
MAT-POS-5cd9ea36-17
0.477
RAL-THA-4aa06b95-5
0.477
MAT-POS-4223bc15-27
0.477
MAT-POS-4223bc15-2
0.477
MAT-POS-4223bc15-23
0.477
MAT-POS-8293a91a-4
0.477
PET-UNK-d61f3ea6-2
0.477
MAT-POS-8293a91a-5
0.477
MIC-UNK-45817b9b-2
0.476
BEN-DND-f2e727cd-4
0.476
ALP-UNI-c3ef0aba-2
0.476
MAT-POS-d8472c4f-5
0.476
BEN-DND-f2e727cd-5
0.476
MAT-POS-3ccb8ef6-1
0.476
MAT-POS-3ccb8ef6-2
0.476
EDJ-MED-76744c27-2
0.474
EDJ-MED-76744c27-7
0.474
EDJ-MED-1981ceba-5
0.474
BEN-DND-32596b04-2
0.474
EDJ-MED-1981ceba-3
0.474