Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)c(C)c1 |
MW: | 443.13 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 2.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1245857146 |
MolPort: | MolPort-047-552-957 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
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-64
0.726
MAT-POS-590ac91e-57
0.640
MAT-POS-590ac91e-61
0.633
MAT-POS-590ac91e-65
0.622
MAT-POS-590ac91e-60
0.611
MAT-POS-590ac91e-68
0.474
MAT-POS-590ac91e-69
0.469
MAT-POS-590ac91e-62
0.465
JAN-GHE-4287bd1a-1
0.458
MAT-POS-590ac91e-56
0.454
AAR-POS-d2a4d1df-36
0.452
MAT-POS-590ac91e-59
0.450
MAT-POS-590ac91e-67
0.449
KRI-MAR-d2e3ef86-4
0.439
MAT-POS-916a2c5a-3
0.439
MAT-POS-590ac91e-66
0.420
BEN-DND-7e92b6ca-7
0.417
MAT-POS-590ac91e-70
0.416
MAT-POS-590ac91e-49
0.415
BEN-DND-7e92b6ca-14
0.400
BEN-DND-7e92b6ca-15
0.394
MAT-POS-590ac91e-58
0.373
ERI-UCB-a0b0dbcb-4
0.369
BEN-DND-7e92b6ca-16
0.354
MAT-POS-916a2c5a-4
0.351
EDJ-MED-78f964c8-1
0.351
KRI-MAR-d2e3ef86-7
0.350
ERI-UCB-a0b0dbcb-3
0.346
ERI-UCB-a0b0dbcb-2
0.343
KRI-MAR-d2e3ef86-13
0.340
BEN-DND-7e92b6ca-11
0.340
BEN-DND-7e92b6ca-13
0.340
BEN-DND-7e92b6ca-6
0.333
MAR-UCB-f313ec4d-5
0.333
BEN-DND-7e92b6ca-12
0.333
ALP-POS-3fc1724e-3
0.333
ALP-POS-3fc1724e-4
0.333
MAT-POS-590ac91e-31
0.330
MAT-POS-590ac91e-34
0.327
MAT-POS-590ac91e-32
0.327
MAT-POS-590ac91e-38
0.321
MAK-UNK-3f402c2b-12
0.320
MAT-POS-590ac91e-50
0.319
MAK-UNK-df1a028e-2
0.315
MAT-POS-590ac91e-37
0.315
KRI-MAR-d2e3ef86-6
0.315
KRI-MAR-d2e3ef86-5
0.314
BEN-DND-7e92b6ca-10
0.314
ALP-UNI-ed5cdfd2-2
0.311
MAT-POS-590ac91e-46
0.311
EDJ-MED-d1cd9639-1
0.309
MAT-POS-590ac91e-40
0.309
ERI-UCB-ce40166b-21
0.307
ERI-UCB-a0b0dbcb-11
0.306
ERI-UCB-a0b0dbcb-14
0.303
MAT-POS-590ac91e-36
0.302
NAU-LAT-c9bfe74c-1
0.302
AAR-POS-0daf6b7e-3
0.298
RHE-UNK-eb059eb9-1
0.298
MAR-TRE-6a44bbf2-13
0.298
WAR-XCH-79d12f6e-6
0.298
KAT-UNK-b2a0d5b1-1
0.295
ERI-UCB-a0b0dbcb-13
0.295
NAU-LAT-c9bfe74c-2
0.294
ERI-UCB-a0b0dbcb-12
0.294
MAT-POS-3b536971-2
0.291
BEN-DND-7e92b6ca-9
0.287
NAU-LAT-56d5284e-2
0.287
SAD-SAT-2ceae68f-3
0.286
MAT-POS-590ac91e-48
0.284
BEN-DND-7e92b6ca-8
0.284
UNK-UNK-2ede4078-42
0.283
MAK-UNK-6435e6c2-5
0.278
NAU-LAT-56d5284e-3
0.277
ERI-UCB-a0b0dbcb-5
0.276
NAU-LAT-c9bfe74c-4
0.275
EDJ-MED-d1cd9639-2
0.274
DAR-DIA-1a77c53a-1
0.272
ERI-UCB-d6de1f3c-1
0.270
MAT-POS-450cb4f9-2
0.266
ERI-UCB-a0b0dbcb-9
0.266
DAN-MCD-5c762fbe-1
0.266
ERI-UCB-a0b0dbcb-8
0.265
BEN-DND-76ad4ac9-10
0.265
BEN-DND-03406596-6
0.265
JAR-IMP-ed466bb3-19
0.264
UNK-UNK-2ede4078-15
0.264
MAT-POS-54c4bf04-4
0.263
ERI-UCB-a0b0dbcb-6
0.263
NAU-LAT-c9bfe74c-3
0.263
MAK-UNK-10dfa458-29
0.263
MAK-UNK-6435e6c2-6
0.256
MAK-UNK-7264f48c-1
0.255
AAR-POS-d2a4d1df-23
0.253
BEN-DND-03ad4429-3
0.253
BEN-DND-03406596-10
0.253
MAK-UNK-10dfa458-5
0.253
DAN-MCD-50ec7d1f-1
0.253
MAR-TRE-6a44bbf2-18
0.253
LON-WEI-8f408cad-4
0.253