Molecular Properties | |
SMILES: | N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1 |
MW: | 440.1 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 114.34 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1245866299 |
MolPort: | MolPort-047-552-962 |
Activity Data | |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-62
0.733
MAT-POS-590ac91e-57
0.671
MAT-POS-590ac91e-60
0.659
MAT-POS-590ac91e-63
0.633
MAT-POS-590ac91e-65
0.598
MAT-POS-590ac91e-68
0.500
MAT-POS-590ac91e-59
0.475
MAR-TRE-6a44bbf2-7
0.471
AAR-POS-d2a4d1df-37
0.471
MAT-POS-590ac91e-56
0.464
MAT-POS-590ac91e-70
0.455
MAT-POS-590ac91e-69
0.450
MAT-POS-590ac91e-64
0.446
BEN-DND-7e92b6ca-7
0.442
MAT-POS-590ac91e-67
0.430
BEN-DND-7e92b6ca-14
0.426
MAT-POS-590ac91e-49
0.425
MAT-POS-916a2c5a-3
0.420
KRI-MAR-d2e3ef86-4
0.420
SAD-SAT-2ceae68f-4
0.408
SAD-SAT-f2e2579e-4
0.404
BEN-DND-7e92b6ca-15
0.404
ERI-UCB-a0b0dbcb-3
0.396
MAT-POS-590ac91e-58
0.396
BEN-DND-7e92b6ca-16
0.378
EDJ-MED-78f964c8-1
0.375
MAT-POS-916a2c5a-4
0.375
BEN-DND-7e92b6ca-6
0.372
ERI-UCB-a0b0dbcb-4
0.365
MAT-POS-590ac91e-66
0.362
ERI-UCB-a0b0dbcb-14
0.362
ALP-UNI-ed5cdfd2-2
0.359
ERI-UCB-a0b0dbcb-2
0.353
KRI-MAR-d2e3ef86-13
0.350
BEN-DND-7e92b6ca-13
0.350
BEN-DND-7e92b6ca-11
0.350
MAT-POS-590ac91e-32
0.349
BEN-DND-7e92b6ca-12
0.343
MAR-UCB-f313ec4d-5
0.343
ALP-POS-3fc1724e-3
0.343
EDJ-MED-d1cd9639-1
0.343
MAT-POS-590ac91e-38
0.343
MAT-POS-590ac91e-31
0.339
BEN-DND-7e92b6ca-10
0.337
KRI-MAR-d2e3ef86-5
0.337
KRI-MAR-d2e3ef86-6
0.336
KRI-MAR-d2e3ef86-7
0.333
MAT-POS-590ac91e-40
0.330
MAT-POS-590ac91e-34
0.324
MAT-POS-590ac91e-37
0.324
NAU-LAT-c9bfe74c-1
0.322
MAK-UNK-3f402c2b-13
0.320
MAT-POS-590ac91e-46
0.319
ERI-UCB-ce40166b-21
0.316
MAT-POS-590ac91e-50
0.316
ERI-UCB-a0b0dbcb-13
0.315
ERI-UCB-a0b0dbcb-12
0.315
NAU-LAT-56d5284e-2
0.308
ALP-POS-3fc1724e-4
0.308
ERI-UCB-a0b0dbcb-11
0.304
NAU-LAT-c9bfe74c-2
0.303
MAK-UNK-10dfa458-29
0.301
MAT-POS-590ac91e-36
0.299
NAU-LAT-56d5284e-3
0.297
BEN-DND-7e92b6ca-9
0.296
ERI-UCB-d6de1f3c-1
0.291
SAD-SAT-bc31ec01-10
0.290
DRR-IMP-dff87f5e-5
0.287
AAR-POS-d2a4d1df-34
0.287
MAR-TRE-6a44bbf2-8
0.287
NAU-LAT-c9bfe74c-4
0.284
MAT-POS-54c4bf04-4
0.283
EDJ-MED-d1cd9639-2
0.283
MAT-POS-590ac91e-48
0.282
MAK-UNK-10dfa458-27
0.280
KAT-UNK-b2a0d5b1-1
0.278
MAT-POS-3b536971-2
0.277
ERI-UCB-a0b0dbcb-9
0.275
MAK-UNK-6435e6c2-5
0.275
ERI-UCB-a0b0dbcb-8
0.274
ERI-UCB-a0b0dbcb-5
0.274
ERI-UCB-a0b0dbcb-6
0.272
NAU-LAT-56d5284e-8
0.268
MAK-UNK-df1a028e-2
0.267
MAK-UNK-7c9d1431-12
0.266
AAR-POS-d2a4d1df-23
0.263
MAR-TRE-6a44bbf2-18
0.263
BEN-DND-03ad4429-3
0.263
BEN-DND-03406596-10
0.263
DAN-MCD-5c762fbe-1
0.263
LON-WEI-8f408cad-4
0.263
MAK-UNK-10dfa458-5
0.263
DAN-MCD-50ec7d1f-1
0.263
MAK-UNK-c74072e5-4
0.261
NAU-LAT-56d5284e-5
0.261
ERI-UCB-a0b0dbcb-10
0.261
NAU-LAT-c9bfe74c-3
0.261
DRR-IMP-db50bf6e-4
0.260
DAR-DIA-1a77c53a-1
0.259
JAN-GHE-bf40f168-2
0.258