Molecular Properties | |
SMILES: | Cn1nc(C(=O)NC(C)(C(=O)Nc2cncc3ccccc23)c2ccc(Cl)c(Cl)c2)cc1C#N |
MW: | 492.09 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.7 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 10.8473743201263 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Dipeptide
MAT-POS-e9e99895-5
0.660
MAT-POS-e9e99895-10
0.611
MAT-POS-fce787c2-9
0.593
MAT-POS-e9e99895-11
0.592
MAT-POS-e9e99895-12
0.586
MAT-POS-e9e99895-13
0.577
MAT-POS-e9e99895-6
0.550
MAT-POS-e9e99895-3
0.542
MAT-POS-e9e99895-7
0.540
MAT-POS-e9e99895-8
0.535
MAT-POS-e9e99895-9
0.527
MAT-POS-e9e99895-2
0.518
MAT-POS-e9e99895-1
0.500
MAT-POS-fce787c2-7
0.500
MAT-POS-fce787c2-6
0.479
NAU-LAT-2fed8305-1
0.430
MAT-POS-fce787c2-8
0.404
MAT-POS-fce787c2-11
0.398
PET-UNK-d61f3ea6-3
0.397
EDJ-MED-12c4873b-3
0.393
MAT-POS-fce787c2-3
0.392
RAL-THA-2d450e86-21
0.390
BEN-DND-f2e727cd-6
0.389
MIC-UNK-45817b9b-2
0.389
MAT-POS-dd3ad2b5-1
0.389
RAL-THA-2d450e86-24
0.388
PET-UNK-dd44aeb6-2
0.388
MAR-UCB-6ab2ec87-6
0.387
MAT-POS-23a8a11a-1
0.386
MAT-POS-1f3f1a6f-3
0.383
RAL-THA-2d450e86-28
0.383
PET-UNK-dd44aeb6-3
0.383
MAT-POS-de59a476-4
0.382
MAT-POS-4223bc15-27
0.381
PET-UNK-d61f3ea6-2
0.381
MAT-POS-fce787c2-5
0.381
MAT-POS-de59a476-2
0.381
BEN-DND-34fc7f90-8
0.381
BEN-DND-a02b439d-15
0.381
MAT-POS-de59a476-1
0.379
MAT-POS-fce787c2-4
0.379
MAT-POS-1f3f1a6f-1
0.379
MAT-POS-1f3f1a6f-2
0.377
BEN-DND-a02b439d-2
0.376
MAT-POS-4223bc15-18
0.376
PET-UNK-162c14b2-1
0.376
MAT-POS-61f37a1a-12
0.376
BEN-BAS-5c03e89e-2
0.374
ALP-POS-d054b76b-2
0.374
BEN-BAS-5c03e89e-1
0.374
MAT-POS-dd3ad2b5-2
0.371
MAT-POS-dd3ad2b5-4
0.371
MAT-POS-24589f88-2
0.371
MAT-POS-24589f88-3
0.371
PET-UNK-9b23ef84-2
0.371
EDG-MED-5d232de5-6
0.368
EDG-MED-5d232de5-5
0.368
MIC-UNK-91acba05-6
0.368
RAL-THA-8416115c-2
0.368
ALP-POS-f13221e1-2
0.368
BEN-DND-a02b439d-12
0.368
RAL-THA-05e671eb-31
0.368
BEN-DND-a02b439d-14
0.366
EDJ-MED-7f6e5b75-1
0.366
ALP-POS-d054b76b-1
0.365
DAR-DIA-0f2f46c9-10
0.365
PET-UNK-af70882d-1
0.365
MAT-POS-bf364d7a-5
0.365
MAT-POS-5cd9ea36-1
0.365
EDJ-MED-76744c27-1
0.365
MAT-POS-bf364d7a-6
0.365
BEN-DND-32596b04-9
0.365
PET-UNK-9b23ef84-3
0.364
MAT-POS-de59a476-5
0.364
BEN-DND-a02b439d-3
0.364
PET-UNK-9bf1291a-5
0.364
PET-UNK-8c422e11-1
0.364
MAT-POS-4223bc15-34
0.363
DAR-DIA-0f2f46c9-5
0.362
DAR-DIA-0f2f46c9-4
0.362
DAR-DIA-0f2f46c9-6
0.362
DAR-DIA-0f2f46c9-7
0.361
DAR-DIA-0f2f46c9-8
0.361
DAR-DIA-0f2f46c9-9
0.361
VLA-UNK-8e76d113-4
0.361
MAT-POS-4223bc15-33
0.361
MAT-POS-4223bc15-28
0.361
VLA-UNK-b9c208fe-1
0.360
DAR-DIA-d8bd013f-5
0.360
DAR-DIA-d8bd013f-6
0.360
MIC-UNK-8758c41d-3
0.360
VLA-UNK-56836b69-1
0.360
ALP-POS-fe871b40-16
0.360
MAR-UCB-6ab2ec87-7
0.360
JUL-TUD-06b2044f-54
0.360
MAT-POS-4223bc15-19
0.359
VLA-UNK-8e76d113-2
0.359
RAL-THA-6e4c80cf-1
0.359
MAT-POS-dd3ad2b5-3
0.359
RAL-THA-2d450e86-8
0.358