Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)CC1 |
MW: | 468.1 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 111.95 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.132576490046 |
Order Status | |
Ordered: | 2021-10-03 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
ALP-POS-6479a3a9-1
1.000
ALP-POS-d7944b10-9
0.879
ALP-POS-d7944b10-11
0.870
ALP-POS-d7944b10-5
0.772
ALP-POS-bb8a3193-7
0.769
ALP-POS-6479a3a9-4
0.735
ALP-POS-d7944b10-4
0.722
ALP-POS-d7944b10-13
0.708
ALP-POS-bb8a3193-6
0.697
ALP-POS-6479a3a9-2
0.697
ALP-POS-d7944b10-12
0.663
ALP-POS-d7944b10-17
0.663
ALP-POS-6479a3a9-5
0.660
ALP-POS-d054b76b-5
0.660
BEN-DND-d1eb1f41-4
0.659
ALP-POS-d7944b10-14
0.653
ALP-POS-d7944b10-7
0.653
ALP-POS-d7944b10-15
0.636
ALP-POS-d7944b10-6
0.626
ALP-POS-d7944b10-10
0.626
ALP-POS-d7944b10-2
0.611
ALP-POS-bb8a3193-1
0.606
ALP-POS-d7944b10-18
0.602
MIC-UNK-06e5f114-1
0.596
ALP-POS-df536be7-6
0.594
ALP-POS-d7944b10-8
0.584
BEN-DND-d1eb1f41-6
0.581
MIC-UNK-06e5f114-2
0.567
MIC-UNK-06e5f114-4
0.566
RAL-THA-2d450e86-28
0.553
PET-UNK-dd44aeb6-3
0.553
MIC-UNK-06e5f114-3
0.545
PET-UNK-dd44aeb6-2
0.533
RAL-THA-2d450e86-24
0.533
PET-UNK-dd44aeb6-1
0.533
RAL-THA-2d450e86-27
0.533
RAL-THA-2d450e86-25
0.533
ALP-POS-df536be7-5
0.526
MAT-POS-bbbbc21a-1
0.521
RAL-THA-2d450e86-29
0.521
MAT-POS-3b92565d-1
0.521
MIC-UNK-df9dcda8-1
0.520
MIC-UNK-df9dcda8-2
0.520
BEN-DND-a88ffd65-2
0.518
MIC-UNK-df9dcda8-3
0.510
RAL-THA-2d450e86-21
0.500
MIC-UNK-df9dcda8-4
0.495
ALP-POS-d7944b10-1
0.485
ALP-POS-6479a3a9-3
0.485
RAL-THA-2d450e86-2
0.484
RAL-THA-2d450e86-40
0.479
PET-UNK-6da3dcd8-9
0.479
RAL-THA-2d450e86-30
0.478
MAT-POS-cc05818f-1
0.475
RAL-THA-2d450e86-17
0.475
MAT-POS-89bd6af1-1
0.474
ALP-POS-c56c1477-4
0.474
PET-UNK-6da3dcd8-10
0.474
MIC-UNK-37660950-2
0.472
ALP-POS-d7944b10-16
0.472
RAL-THA-1d44ff04-9
0.471
NAU-LAT-30527ac5-1
0.471
RAL-THA-2d450e86-33
0.468
ADA-UCB-6c2cb422-1
0.468
RAL-THA-2d450e86-36
0.467
ALP-POS-bb8a3193-5
0.467
MAK-UNK-919546f0-4
0.467
ALP-POS-bb8a3193-4
0.467
MAT-POS-dc2604c4-1
0.466
MAT-POS-e194df51-2
0.466
MAT-POS-e194df51-1
0.466
MAT-POS-fce787c2-2
0.462
PET-UNK-6da3dcd8-8
0.462
EDJ-MED-b1cef252-2
0.462
MAT-POS-83a7b0a0-2
0.462
MAT-POS-89bd6af1-2
0.462
MAT-POS-bbbbc21a-3
0.462
MIC-UNK-e7433122-1
0.459
RAL-THA-2d450e86-26
0.458
EDJ-MED-036ae2e9-12
0.457
DAR-DIA-0cde14eb-59
0.456
MIC-UNK-37660950-4
0.456
MIC-UNK-37660950-1
0.455
NAU-LAT-2fed8305-9
0.453
MIC-UNK-e8d6fb58-4
0.452
RAL-THA-2d450e86-37
0.452
ALP-POS-c56c1477-3
0.449
MAT-POS-2e8b2191-6
0.449
RAL-THA-2d450e86-6
0.449
RAL-THA-2d450e86-12
0.449
PET-UNK-3c72d439-1
0.449
MAT-POS-afd4d4fd-2
0.448
MAT-POS-afd4d4fd-3
0.448
RAL-THA-2d450e86-34
0.448
PET-UNK-1e7f2e90-1
0.447
PET-UNK-fe71d26d-2
0.446
PET-UNK-fe71d26d-4
0.446
MIC-UNK-16ccb665-3
0.446
PET-UNK-2337ec19-1
0.445
PET-UNK-2337ec19-2
0.445