Molecular Properties | |
SMILES: | Cc1nc2n(n1)CC(C(=O)NC(C)(C(=O)Nc1cncc3ccccc13)c1ccc(Cl)c(Cl)c1)CC2 |
MW: | 522.13 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.8 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.09833578620436 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Dipeptide
MAT-POS-e9e99895-13
0.710
MAT-POS-e9e99895-3
0.654
MAT-POS-e9e99895-10
0.600
MAT-POS-e9e99895-2
0.593
MAT-POS-e9e99895-12
0.562
MAT-POS-e9e99895-11
0.552
EDJ-MED-ee07cf00-13
0.552
MAT-POS-a13804f0-1
0.552
MAT-POS-fce787c2-9
0.551
MAT-POS-e9e99895-5
0.548
MAT-POS-e9e99895-6
0.543
MAT-POS-e9e99895-4
0.535
ALP-UNI-dbbfd3db-4
0.512
MAT-POS-e9e99895-9
0.509
MAT-POS-e9e99895-7
0.508
MAT-POS-e9e99895-1
0.466
MAT-POS-fce787c2-7
0.466
MAT-POS-fce787c2-6
0.447
NAU-LAT-2fed8305-1
0.402
JUL-TUD-06b2044f-54
0.397
EDJ-MED-2791eece-6
0.383
EDJ-MED-b774e9fe-2
0.383
EDJ-MED-036ae2e9-1
0.383
EDJ-MED-12c4873b-3
0.382
MAT-POS-fb82b63d-3
0.381
BEN-DND-34fc7f90-8
0.381
BEN-DND-a02b439d-15
0.381
MAT-POS-fce787c2-3
0.380
MAT-POS-dd3ad2b5-1
0.378
BEN-DND-f2e727cd-6
0.378
EDJ-MED-036ae2e9-2
0.377
PET-UNK-dd44aeb6-2
0.376
RAL-THA-2d450e86-24
0.376
MAT-POS-78e1d523-1
0.376
MAR-UCB-6ab2ec87-6
0.376
PET-UNK-5ad1c31a-2
0.376
PET-UNK-5ad1c31a-8
0.376
DAR-DIA-0f2f46c9-5
0.375
DAR-DIA-0f2f46c9-4
0.375
DAR-DIA-0f2f46c9-6
0.375
EDJ-MED-b774e9fe-1
0.375
ALP-POS-a577c8a2-2
0.375
PET-UNK-d61f3ea6-3
0.375
EDJ-MED-2791eece-2
0.375
ADA-UCB-dc2b944c-17
0.374
PET-UNK-d61f3ea6-2
0.371
BEN-BAS-c2bc0d80-1
0.371
DAR-DIA-0f2f46c9-12
0.370
EDG-MED-5d232de5-6
0.370
EDG-MED-5d232de5-5
0.370
EDJ-MED-eb111c00-1
0.370
MIC-UNK-91acba05-6
0.370
RAL-THA-8416115c-2
0.370
MIC-UNK-91acba05-2
0.370
MAT-POS-fce787c2-5
0.369
EDJ-MED-2791eece-9
0.369
EDJ-MED-2791eece-12
0.369
LUO-POS-3f66b338-1
0.368
EDJ-MED-12c4873b-4
0.368
EDJ-MED-43f8f7d6-1
0.368
MAT-POS-1f3f1a6f-4
0.368
MIC-UNK-37660950-4
0.367
EDG-MED-971238d3-11
0.367
MIC-UNK-45817b9b-2
0.367
ALP-POS-d054b76b-1
0.367
EDJ-MED-40433386-9
0.366
BEN-DND-a02b439d-2
0.366
MAT-POS-2e8b2191-1
0.366
PET-UNK-9b23ef84-3
0.366
FRA-DIA-0fa076fe-2
0.365
PET-UNK-5ad1c31a-7
0.365
PET-UNK-5ad1c31a-1
0.365
MIC-UNK-91acba05-4
0.364
ALP-POS-477dc5b7-1
0.364
BEN-BAS-5c03e89e-1
0.364
MAT-POS-83f73d0a-3
0.364
BEN-BAS-5c03e89e-2
0.364
ALP-POS-d054b76b-2
0.364
DAR-DIA-0f2f46c9-7
0.363
EDJ-MED-b774e9fe-3
0.363
EDJ-MED-2791eece-8
0.363
EDJ-MED-2791eece-10
0.363
EDJ-MED-036ae2e9-3
0.363
ADA-UCB-dc2b944c-3
0.363
DAR-DIA-0f2f46c9-8
0.363
DAR-DIA-0f2f46c9-9
0.363
DAR-DIA-d8bd013f-6
0.362
DAR-DIA-d8bd013f-5
0.362
MAR-UCB-6ab2ec87-7
0.361
MAT-POS-23a8a11a-1
0.361
ALF-EVA-07677224-8
0.361
MAT-POS-dd3ad2b5-2
0.361
MAT-POS-dd3ad2b5-4
0.361
MAT-POS-24589f88-2
0.361
MAT-POS-24589f88-3
0.361
PET-UNK-9b23ef84-2
0.361
MAT-POS-4223bc15-27
0.360
EDJ-MED-2791eece-11
0.360
MAT-POS-1f3f1a6f-3
0.360
MAT-POS-4223bc15-41
0.359