Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 |
MW: | 449.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1239126544 |
Enamine Extended REAL: | s_22____414298____5350556 |
MolPort: | MolPort-047-552-853 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-67
0.772
MAT-POS-590ac91e-56
0.759
MAT-POS-590ac91e-68
0.699
MAT-POS-590ac91e-59
0.682
MAT-POS-590ac91e-64
0.644
MAT-POS-590ac91e-58
0.624
MAT-POS-590ac91e-62
0.622
MAT-POS-590ac91e-66
0.573
MAT-POS-590ac91e-70
0.567
MAT-POS-590ac91e-57
0.544
BEN-DND-7e92b6ca-7
0.506
MAT-POS-590ac91e-60
0.505
MAT-POS-590ac91e-65
0.500
MAT-POS-590ac91e-63
0.469
DRR-IMP-dff87f5e-8
0.469
MAT-POS-590ac91e-61
0.450
MAT-POS-590ac91e-48
0.427
ERI-UCB-a0b0dbcb-2
0.421
MAT-POS-916a2c5a-3
0.418
KRI-MAR-d2e3ef86-4
0.418
ERI-UCB-a0b0dbcb-12
0.404
SAD-SAT-2ceae68f-1
0.400
NAU-LAT-56d5284e-2
0.398
BEN-DND-7e92b6ca-14
0.394
BEN-DND-7e92b6ca-15
0.388
NAU-LAT-56d5284e-3
0.382
EDJ-MED-d1cd9639-1
0.379
MAK-UNK-6435e6c2-5
0.378
AAR-POS-d2a4d1df-23
0.376
LON-WEI-8f408cad-4
0.376
BEN-DND-03406596-10
0.376
DAN-MCD-5c762fbe-1
0.376
MAR-TRE-6a44bbf2-18
0.376
ERI-UCB-d6de1f3c-1
0.376
BEN-DND-7e92b6ca-16
0.361
DAN-MCD-50ec7d1f-1
0.360
MAK-UNK-10dfa458-5
0.360
BEN-DND-03ad4429-3
0.360
BEN-DND-7e92b6ca-13
0.360
MAK-UNK-10dfa458-29
0.356
BEN-DND-7e92b6ca-6
0.355
MAT-POS-54c4bf04-4
0.352
ALP-POS-3fc1724e-4
0.351
ERI-UCB-a0b0dbcb-4
0.350
NAU-LAT-56d5284e-8
0.350
BEN-DND-76ad4ac9-14
0.348
BEN-DND-03406596-3
0.348
KRI-MAR-d2e3ef86-5
0.347
BEN-DND-7e92b6ca-10
0.347
EDJ-MED-78f964c8-1
0.344
MAT-POS-916a2c5a-4
0.344
NAU-LAT-56d5284e-5
0.343
ALP-POS-3fc1724e-3
0.340
MAT-POS-590ac91e-54
0.339
MAT-POS-590ac91e-47
0.339
IND-SYN-6c8299e8-2
0.333
MAT-POS-3b536971-2
0.333
KRI-MAR-d2e3ef86-6
0.333
MAT-POS-590ac91e-30
0.333
ABB-MCD-f549d731-1
0.330
NAU-LAT-c9bfe74c-1
0.330
VLA-UCB-eb340134-1
0.330
KRI-MAR-d2e3ef86-7
0.330
MAT-POS-590ac91e-39
0.327
ERI-UCB-a0b0dbcb-3
0.327
VLA-UCB-eb340134-4
0.327
MAR-UCB-f313ec4d-5
0.327
BEN-DND-7e92b6ca-12
0.327
ERI-UCB-a0b0dbcb-13
0.324
ERI-UCB-d6de1f3c-8
0.324
MAT-POS-590ac91e-33
0.324
VLA-UCB-eb340134-2
0.324
VLA-UCB-eb340134-3
0.324
ALP-UNI-ed5cdfd2-3
0.324
MAK-UNK-7c9d1431-10
0.322
KAY-MCD-d0fe5261-1
0.322
DRR-IMP-dff87f5e-1
0.322
MAR-TRE-6a44bbf2-58
0.322
ERI-UCB-a0b0dbcb-14
0.321
JAN-GHE-82a280f8-1
0.321
BEN-DND-7e92b6ca-11
0.320
KRI-MAR-d2e3ef86-13
0.320
MAT-POS-590ac91e-35
0.319
MAK-UNK-902cc841-7
0.317
DAR-DIA-1a77c53a-22
0.317
IND-SYN-6c8299e8-7
0.316
BEN-DND-03ad4429-4
0.316
MAT-POS-590ac91e-41
0.315
EDJ-MED-d1cd9639-2
0.315
ERI-UCB-a0b0dbcb-11
0.312
DAR-DIA-1a77c53a-1
0.312
MAR-TRE-6a44bbf2-65
0.312
KEN-MCD-6084b33e-1
0.312
MAK-UNK-7c9d1431-11
0.312
TAT-ENA-80bfd3e5-43
0.312
MAK-UNK-902cc841-8
0.311
BEN-DND-362d364a-1
0.311
NAU-LAT-c9bfe74c-2
0.310
MAR-TRE-6a44bbf2-32
0.308
MAT-POS-450cb4f9-2
0.308