Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)Nc2cncc3ccccc23)CC1 |
MW: | 312.16 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 75.5750406628733 |
IC50 (µM) - RapidFire: | 72.5481524161938 |
Order Status | |
Ordered: | 2020-08-23 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
BEN-DND-6de5dfa0-11
1.000
VLA-UCB-05e51b3f-1
1.000
ALP-POS-6747fa38-1
1.000
NAU-LAT-a5c7d7cb-1
1.000
NAU-LAT-2fed8305-3
0.581
NAU-LAT-2fed8305-4
0.581
RAL-THA-2d450e86-3
0.543
MAK-UNK-919546f0-4
0.536
RAL-THA-2d450e86-38
0.535
BEN-DND-6de5dfa0-19
0.529
RAL-THA-2d450e86-1
0.522
MAK-UNK-919546f0-5
0.521
EDJ-MED-3c65e9ce-1
0.514
BEN-DND-93268d01-8
0.514
RAL-THA-2d450e86-37
0.514
RAL-THA-2d450e86-36
0.514
BEN-DND-6de5dfa0-21
0.507
RAL-THA-2d450e86-16
0.507
RAL-THA-2d450e86-39
0.507
NIR-THE-590dedc7-1
0.506
MIC-UNK-5a93dd5f-10
0.506
MIC-UNK-6ab519a7-1
0.506
NAU-LAT-a5c7d7cb-2
0.506
RAL-THA-2d450e86-4
0.500
BEN-DND-6de5dfa0-24
0.500
MAT-POS-afd4d4fd-1
0.494
EDJ-MED-3c65e9ce-3
0.494
RAL-THA-2d450e86-20
0.494
MAT-POS-23a8a11a-1
0.493
EDJ-MED-3c65e9ce-2
0.493
RAL-THA-2d450e86-2
0.493
RAL-THA-2d450e86-7
0.493
LON-WEI-af038623-3
0.492
RAL-THA-2d450e86-8
0.487
RAL-THA-2d450e86-13
0.487
MAT-POS-afd4d4fd-3
0.487
RAL-THA-2d450e86-40
0.487
RAL-THA-2d450e86-35
0.486
MAT-POS-fce787c2-2
0.486
RAL-THA-2d450e86-30
0.486
BEN-DND-6de5dfa0-20
0.486
RAL-THA-065e0743-1
0.482
RAL-THA-2d450e86-23
0.481
RAL-THA-2d450e86-22
0.475
RAL-THA-2d450e86-27
0.474
RAL-THA-2d450e86-19
0.474
DAR-DIA-ecdbc7dd-18
0.474
ADA-UCB-6c2cb422-1
0.474
NAU-LAT-2fed8305-9
0.474
RAL-THA-2d450e86-5
0.474
RAL-THA-2d450e86-32
0.474
NAU-LAT-2fed8305-6
0.474
RAL-THA-2d450e86-10
0.474
RAL-THA-2d450e86-33
0.474
BEN-DND-6de5dfa0-18
0.472
BEN-DND-6de5dfa0-23
0.471
MIC-UNK-cdc2493e-17
0.471
DAR-DIA-ecdbc7dd-19
0.469
MAK-UNK-c749d764-12
0.469
MAK-UNK-c749d764-2
0.469
MAK-UNK-ffc90da7-2
0.469
RAL-THA-2d450e86-9
0.468
RAL-THA-2d450e86-14
0.468
RAL-THA-2d450e86-15
0.468
RAL-THA-2d450e86-11
0.468
MAK-UNK-c749d764-11
0.468
PET-UNK-c9c1e0d8-1
0.468
VLA-UNK-b9c208fe-2
0.468
MAT-POS-afd4d4fd-2
0.468
RAL-THA-2d450e86-34
0.468
MAT-POS-fce787c2-1
0.463
DAR-DIA-0cde14eb-46
0.463
MAK-UNK-c749d764-4
0.463
MAK-UNK-c749d764-26
0.463
MAK-UNK-c749d764-32
0.463
PET-UNK-bb7ffe78-1
0.463
MAR-UCB-f313ec4d-3
0.463
NAU-LAT-2fed8305-5
0.462
RAL-THA-2d450e86-26
0.462
RAL-THA-2d450e86-21
0.457
RAL-THA-2d450e86-24
0.456
ALP-POS-f13221e1-3
0.456
PET-UNK-dd44aeb6-1
0.456
RAL-THA-2d450e86-25
0.456
PET-UNK-dd44aeb6-2
0.456
MIC-UNK-cdc2493e-18
0.456
RAL-THA-1d44ff04-3
0.452
ALP-POS-f13221e1-1
0.452
MAK-UNK-c749d764-8
0.451
ALP-POS-3b848b35-1
0.451
MAT-POS-3b92565d-2
0.451
RAL-THA-2d450e86-18
0.451
PET-UNK-3c72d439-1
0.450
RAL-THA-2d450e86-31
0.450
RAL-THA-2d450e86-12
0.450
RAL-THA-2d450e86-6
0.450
DAR-DIA-6a508060-11
0.447
BEN-DND-d1eb1f41-4
0.446
MAT-POS-bbbbc21a-1
0.446
RAL-THA-2d450e86-17
0.446