Molecule Details
| Molecular Properties | |
| SMILES: | CC(NC(=O)c1cc2n(n1)CCO2)(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
| MW: | 495.09 |
| Fraction sp3: | 0.17 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 98.14 |
| cLogP: | 4.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 8.70924023222599 |
| Order Status | |
| Ordered: | 2020-12-29 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-03 |
Dipeptide
MAT-POS-e9e99895-4
0.660
MAT-POS-e9e99895-10
0.592
MAT-POS-e9e99895-13
0.575
MAT-POS-fce787c2-9
0.574
MAT-POS-e9e99895-11
0.574
MAT-POS-e9e99895-12
0.569
MAT-POS-e9e99895-6
0.562
MAT-POS-e9e99895-2
0.558
MAT-POS-e9e99895-8
0.548
MAT-POS-e9e99895-3
0.541
MAT-POS-e9e99895-9
0.513
MAT-POS-e9e99895-7
0.513
EDJ-MED-6864a934-2
0.496
MAT-POS-e9e99895-1
0.485
MAT-POS-fce787c2-7
0.485
MAT-POS-fce787c2-6
0.480
NAU-LAT-2fed8305-1
0.417
RAL-THA-2d450e86-24
0.390
PET-UNK-dd44aeb6-2
0.390
MAT-POS-23a8a11a-1
0.388
VLA-UNK-a5257d84-1
0.385
MAT-POS-de59a476-4
0.384
PET-UNK-d61f3ea6-2
0.383
MAT-POS-de59a476-2
0.383
MAT-POS-fce787c2-5
0.383
MAT-POS-fce787c2-3
0.381
BEN-DND-f2e727cd-1
0.381
MAT-POS-a13804f0-2
0.379
ALP-POS-fe871b40-9
0.379
ALP-POS-d91e0300-1
0.379
RAL-THA-05e671eb-10
0.379
MAT-POS-a13804f0-3
0.379
EDJ-MED-12f7f543-1
0.377
ALP-POS-fe871b40-5
0.377
MAR-UCB-6ab2ec87-6
0.377
PET-UNK-c0891748-2
0.377
PET-UNK-c0891748-8
0.377
RAL-THA-05e671eb-25
0.377
BEN-BAS-5c03e89e-1
0.376
BEN-BAS-5c03e89e-2
0.376
PET-UNK-d61f3ea6-3
0.376
ALP-UNI-3735e77e-2
0.374
RAL-THA-05e671eb-16
0.374
RAL-THA-2d450e86-8
0.374
MAT-POS-1f3f1a6f-3
0.373
RAL-THA-05e671eb-11
0.371
ALP-UNI-3735e77e-3
0.371
RAL-THA-05e671eb-29
0.371
EDJ-MED-e4b030d8-8
0.371
MIC-UNK-6e9f8a43-2
0.370
RAL-THA-2d450e86-30
0.369
RYA-UNI-6d7114fd-1
0.368
ALP-POS-869ac754-1
0.368
RAL-THA-05e671eb-2
0.368
MAT-POS-fce787c2-4
0.368
MAT-POS-de59a476-1
0.368
MAT-POS-1f3f1a6f-1
0.368
MIC-UNK-45817b9b-2
0.368
EDG-MED-971238d3-11
0.368
MAT-POS-1f3f1a6f-2
0.367
BEN-DND-a02b439d-2
0.367
RAL-THA-05e671eb-21
0.366
MAT-POS-de59a476-5
0.366
MAT-POS-f7918075-1
0.365
MAT-POS-b3e365b9-1
0.365
MAT-POS-b3e365b9-2
0.365
VLA-UCB-1dbca3b4-15
0.365
MAT-POS-bbbbc21a-3
0.365
MAT-POS-de59a476-3
0.365
MAT-POS-78e1d523-3
0.364
EDJ-MED-d08626de-3
0.364
MAT-POS-78e1d523-4
0.364
EDJ-MED-d08626de-4
0.364
EDJ-MED-d08626de-5
0.364
EDJ-MED-37aac4bd-1
0.364
MAT-POS-993cdc78-2
0.364
ALP-POS-fe871b40-11
0.364
MAT-POS-993cdc78-1
0.364
ALP-POS-869ac754-2
0.363
JUL-TUD-06b2044f-54
0.362
RAL-THA-05e671eb-26
0.362
ALP-POS-fe871b40-7
0.361
RAL-THA-05e671eb-30
0.361
EDJ-MED-d08626de-1
0.361
PET-UNK-c0891748-1
0.361
EDJ-MED-2791eece-6
0.361
EDJ-MED-b774e9fe-2
0.361
EDG-MED-0e5afe9d-3
0.361
PET-UNK-c0891748-7
0.361
EDJ-MED-37aac4bd-5
0.361
EDJ-MED-d08626de-2
0.361
PET-UNK-29afea89-2
0.361
MAT-POS-fce787c2-11
0.361
EDJ-MED-12c4873b-3
0.361
MAT-POS-4223bc15-27
0.361
DAR-DIA-ecdbc7dd-13
0.361
MAT-POS-fce787c2-1
0.360
BEN-DND-34fc7f90-8
0.359
MIC-UNK-cdc2493e-17
0.359
MAT-POS-fb82b63d-3
0.359