Molecular Properties | |
SMILES: | CC(NC(=O)Cc1ccc(-n2cnnn2)cc1)(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 545.11 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 114.69 |
cLogP: | 4.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.86021576406508 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Dipeptide
MAT-POS-e9e99895-10
0.639
MAT-POS-e9e99895-11
0.620
MAT-POS-e9e99895-12
0.614
MAT-POS-e9e99895-9
0.582
MAT-POS-fce787c2-9
0.557
MAT-POS-e9e99895-6
0.548
MAT-POS-e9e99895-4
0.540
EDJ-MED-ee07cf00-15
0.534
MAT-POS-e9e99895-13
0.532
MAT-POS-e9e99895-3
0.513
MAT-POS-e9e99895-5
0.513
MAT-POS-e9e99895-8
0.508
MAT-POS-e9e99895-2
0.504
MAT-POS-e9e99895-1
0.500
MAT-POS-fce787c2-7
0.500
ALP-UNI-dbbfd3db-1
0.484
MAT-POS-fce787c2-6
0.480
MAT-POS-23a8a11a-1
0.446
RAL-THA-2d450e86-8
0.429
RAL-THA-2d450e86-24
0.419
PET-UNK-dd44aeb6-2
0.419
RAL-THA-2d450e86-32
0.417
RAL-THA-2d450e86-2
0.416
RAL-THA-2d450e86-9
0.415
RAL-THA-2d450e86-3
0.406
NAU-LAT-2fed8305-1
0.406
RAL-THA-2d450e86-6
0.402
MAT-POS-fce787c2-1
0.400
RAL-THA-2d450e86-4
0.394
PET-UNK-8c422e11-1
0.393
RAL-THA-2d450e86-15
0.389
RAL-THA-2d450e86-13
0.387
VLA-UNK-b9c208fe-2
0.387
PET-UNK-8c422e11-2
0.386
ALP-UNI-0676e700-20
0.386
ALP-POS-df536be7-5
0.381
ALP-POS-f13221e1-1
0.381
MIC-UNK-37660950-2
0.380
RAL-THA-2d450e86-27
0.380
RAL-THA-1d44ff04-4
0.378
ADA-UCB-6c2cb422-1
0.377
RAL-THA-2d450e86-31
0.376
RAL-THA-2d450e86-36
0.375
MAT-POS-1f3f1a6f-3
0.375
RAL-THA-2d450e86-7
0.375
VLA-UNK-9a7dc93f-1
0.373
NAU-LAT-2fed8305-2
0.373
PET-UNK-bb7ffe78-1
0.373
MAT-POS-fce787c2-5
0.373
RAL-THA-2d450e86-30
0.371
MAT-POS-fce787c2-2
0.371
MAT-POS-fce787c2-3
0.370
RAL-THA-2d450e86-22
0.369
PET-UNK-8c422e11-4
0.368
RAL-THA-2d450e86-20
0.367
MAT-POS-afd4d4fd-1
0.367
RAL-THA-2d450e86-18
0.366
ALP-POS-3b848b35-1
0.366
MAT-POS-3b92565d-2
0.366
VLA-UNK-b9c208fe-1
0.365
RAL-THA-2d450e86-5
0.364
RAL-THA-2d450e86-33
0.364
MAT-POS-fce787c2-11
0.364
RAL-THA-2d450e86-1
0.363
MAT-POS-de59a476-4
0.362
BAR-COM-0f94fc3d-47
0.362
MIC-UNK-08fa0751-2
0.362
MAT-POS-afd4d4fd-3
0.361
MAT-POS-de59a476-2
0.360
ALP-POS-f13221e1-2
0.360
MAT-POS-1f3f1a6f-4
0.359
DAR-DIA-0587064e-7
0.358
MAT-POS-fce787c2-4
0.358
MAT-POS-de59a476-1
0.358
MAT-POS-1f3f1a6f-1
0.358
RAL-THA-2d450e86-21
0.357
MAT-POS-1f3f1a6f-2
0.357
MAT-POS-fce787c2-8
0.357
MAT-POS-de59a476-5
0.357
RAL-THA-1d44ff04-5
0.357
DAR-DIA-0587064e-2
0.356
DAR-DIA-0587064e-4
0.356
RAL-THA-2d450e86-19
0.355
PET-UNK-dd44aeb6-1
0.355
RAL-THA-2d450e86-25
0.355
MIC-UNK-df9dcda8-3
0.354
RAL-THA-065e0743-1
0.353
ALP-POS-d7944b10-1
0.353
ALP-POS-6479a3a9-3
0.353
ALP-POS-d7944b10-2
0.353
NAU-LAT-2fed8305-9
0.352
RAL-THA-2d450e86-10
0.352
PET-UNK-3c72d439-1
0.351
RAL-THA-2d450e86-11
0.351
RAL-THA-2d450e86-14
0.351
MIC-UNK-16ccb665-3
0.351
RAL-THA-2d450e86-29
0.351
PET-UNK-dd44aeb6-3
0.351
MAT-POS-bbbbc21a-1
0.351
MAT-POS-3b92565d-1
0.351