Molecular Properties | |
SMILES: | CC(C)N1CCOC(C(=O)NC(C)(C(=O)Nc2cncc3ccccc23)c2ccc(Cl)c(Cl)c2)C1 |
MW: | 514.15 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.56 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 6.11633826929543 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Dipeptide
MAT-POS-e9e99895-13
0.641
MAT-POS-e9e99895-8
0.593
MAT-POS-e9e99895-3
0.589
MAT-POS-e9e99895-10
0.580
MAT-POS-e9e99895-12
0.573
MAT-POS-e9e99895-11
0.563
MAT-POS-fce787c2-9
0.562
MAT-POS-e9e99895-5
0.558
MAT-POS-e9e99895-6
0.553
MAT-POS-e9e99895-4
0.518
MAT-POS-e9e99895-9
0.504
MAT-POS-e9e99895-7
0.504
MAT-POS-e9e99895-1
0.475
MAT-POS-fce787c2-7
0.475
MAT-POS-fce787c2-6
0.455
MAT-POS-fce787c2-3
0.413
NAU-LAT-2fed8305-1
0.396
MAT-POS-23a8a11a-1
0.394
MAT-POS-fce787c2-8
0.385
ALP-POS-d054b76b-1
0.385
PET-UNK-1320d94d-11
0.384
PET-UNK-1320d94d-17
0.384
PET-UNK-1320d94d-18
0.384
PET-UNK-1320d94d-12
0.384
EDJ-MED-cf4b0d25-3
0.380
RAL-THA-2d450e86-8
0.380
MIC-UNK-8758c41d-3
0.379
VLA-UNK-56836b69-1
0.379
ALP-POS-fe871b40-16
0.379
MAR-UCB-6ab2ec87-7
0.379
JUL-TUD-06b2044f-54
0.379
MAT-POS-1f3f1a6f-3
0.378
ALP-POS-347519b5-3
0.378
EDJ-MED-2791eece-6
0.378
EDJ-MED-b774e9fe-2
0.378
DAR-DIA-d8bd013f-5
0.378
DAR-DIA-d8bd013f-6
0.378
MAT-POS-fce787c2-5
0.376
MAT-POS-de59a476-2
0.376
RAL-THA-05e671eb-28
0.376
BEN-DND-34fc7f90-8
0.376
BEN-DND-a02b439d-15
0.376
PET-UNK-1320d94d-15
0.375
PET-UNK-1320d94d-16
0.375
PET-UNK-1320d94d-13
0.374
PET-UNK-1320d94d-14
0.374
MAT-POS-1f3f1a6f-4
0.374
MAT-POS-de59a476-1
0.374
MAT-POS-fce787c2-4
0.374
MAT-POS-1f3f1a6f-1
0.374
MAT-POS-1f3f1a6f-2
0.373
BEN-DND-a02b439d-2
0.372
EDJ-MED-036ae2e9-2
0.372
PET-UNK-9b23ef84-3
0.372
MIC-UNK-8758c41d-2
0.371
MAR-UCB-6ab2ec87-6
0.371
PET-UNK-dd44aeb6-2
0.370
RAL-THA-2d450e86-24
0.370
DAR-DIA-d8bd013f-7
0.370
DAR-DIA-d8bd013f-8
0.370
PET-UNK-d61f3ea6-3
0.370
BEN-BAS-5c03e89e-1
0.370
EDJ-MED-b774e9fe-1
0.370
EDJ-MED-2791eece-2
0.370
ALP-POS-a9ad2217-1
0.369
PET-UNK-1320d94d-19
0.369
PET-UNK-1320d94d-20
0.369
ALP-POS-869ac754-2
0.368
ALF-EVA-b701bd13-4
0.368
RAL-THA-05e671eb-26
0.368
MAT-POS-fce787c2-11
0.367
MAT-POS-dd3ad2b5-2
0.367
PET-UNK-9b23ef84-2
0.367
EDJ-MED-12c4873b-3
0.366
PET-UNK-d61f3ea6-2
0.366
RAL-THA-2d450e86-36
0.365
MAT-POS-de59a476-4
0.365
DAR-DIA-d8bd013f-1
0.365
MAT-POS-5cd9ea36-14
0.365
DAR-DIA-d8bd013f-3
0.365
VLA-UNK-b9c208fe-2
0.364
RAL-THA-05e671eb-29
0.364
MAT-POS-fb82b63d-3
0.364
EDJ-MED-e4b030d8-8
0.364
VLA-UNK-9a7dc93f-1
0.364
EDJ-MED-2791eece-12
0.364
LUO-POS-3f66b338-1
0.363
EDJ-MED-12c4873b-4
0.363
EDJ-MED-43f8f7d6-1
0.363
DAR-DIA-0d514e7d-24
0.363
JOH-UNI-6b98e24c-2
0.362
EDJ-MED-7f6e5b75-1
0.362
RAL-THA-a9c31980-4
0.362
EDJ-MED-c99b2211-2
0.362
RAL-THA-05e671eb-2
0.362
ALP-POS-869ac754-1
0.362
NIR-THE-590dedc7-1
0.362
MIC-UNK-5a93dd5f-10
0.362
RYA-UNI-6d7114fd-1
0.362
MIC-UNK-6ab519a7-1
0.362