Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 415.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 1.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1239079472 |
Enamine Extended REAL: | s_22____411360____5350556 |
MolPort: | MolPort-047-552-856 |
Activity Data | |
Average Inhibition @ 20 µM - Fluorescence: | 3.8431085 |
Average Inhibition @ 50 µM - Fluorescence: | 11.888695 |
Average Inhibition @ 50 µM - RapidFire: | 16.2350807789757 |
Relative Solubility @ 20 µM: | 0.98 |
Relative Solubility @ 100 µM: | 0.98 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
Hetero_hetero
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-67
0.779
MAT-POS-590ac91e-69
0.759
MAT-POS-590ac91e-59
0.750
MAT-POS-590ac91e-58
0.731
MAT-POS-590ac91e-68
0.704
MAT-POS-590ac91e-57
0.700
BEN-DND-7e92b6ca-7
0.679
MAT-POS-590ac91e-62
0.663
MAT-POS-590ac91e-64
0.647
MAT-POS-590ac91e-66
0.575
MAT-POS-590ac91e-70
0.551
MAT-POS-590ac91e-60
0.538
MAT-POS-590ac91e-65
0.533
KRI-MAR-d2e3ef86-4
0.478
MAT-POS-916a2c5a-3
0.478
MAT-POS-590ac91e-61
0.464
MAT-POS-590ac91e-48
0.455
MAT-POS-590ac91e-63
0.454
BEN-DND-7e92b6ca-14
0.422
BEN-DND-7e92b6ca-6
0.414
BEN-DND-7e92b6ca-15
0.400
MAT-POS-916a2c5a-4
0.400
EDJ-MED-78f964c8-1
0.400
MAK-UNK-7c9d1431-9
0.392
MAR-TRE-6a44bbf2-21
0.392
KRI-MAR-d2e3ef86-5
0.387
BEN-DND-7e92b6ca-10
0.387
BEN-DND-7e92b6ca-16
0.387
BEN-DND-7e92b6ca-13
0.371
ALP-POS-3fc1724e-3
0.364
ERI-UCB-a0b0dbcb-4
0.360
DAN-MCD-5c762fbe-1
0.357
MAT-POS-590ac91e-30
0.356
NAU-LAT-c9bfe74c-1
0.352
MAT-POS-590ac91e-39
0.350
MAR-TRE-6a44bbf2-58
0.349
KAY-MCD-d0fe5261-1
0.349
ERI-UCB-a0b0dbcb-2
0.347
MAT-POS-590ac91e-33
0.346
BEN-DND-7e92b6ca-11
0.343
KRI-MAR-d2e3ef86-13
0.343
KRI-MAR-d2e3ef86-6
0.343
MAK-UNK-6435e6c2-5
0.341
KRI-MAR-d2e3ef86-7
0.340
BEN-DND-7e92b6ca-12
0.337
ERI-UCB-a0b0dbcb-3
0.337
MAR-UCB-f313ec4d-5
0.337
MAT-POS-590ac91e-41
0.337
EDJ-MED-d1cd9639-1
0.337
ALP-POS-3fc1724e-4
0.336
MAT-POS-590ac91e-47
0.336
ERI-UCB-a0b0dbcb-13
0.333
ERI-UCB-a0b0dbcb-12
0.333
ERI-UCB-a0b0dbcb-14
0.330
NAU-LAT-56d5284e-3
0.327
NAU-LAT-56d5284e-2
0.327
GIA-UNK-eaadd1d4-3
0.326
DAN-MCD-50ec7d1f-1
0.326
MAK-UNK-10dfa458-5
0.326
LON-WEI-8f408cad-4
0.326
AAR-POS-d2a4d1df-23
0.326
MAR-TRE-6a44bbf2-18
0.326
GIA-UNK-5ec6c2b8-4
0.325
MAT-POS-590ac91e-54
0.324
MAK-UNK-10dfa458-29
0.322
GIA-UNK-595fac82-4
0.322
ERI-UCB-a0b0dbcb-11
0.321
NAU-LAT-c9bfe74c-2
0.319
ANT-OPE-7824651a-2
0.318
MAK-UNK-df1a028e-2
0.318
MAT-POS-590ac91e-35
0.315
BEN-DND-76ad4ac9-14
0.315
NAU-LAT-c9bfe74c-4
0.314
BEN-DND-7e92b6ca-9
0.314
ERI-UCB-ce40166b-21
0.309
MAK-UNK-df1a028e-3
0.307
MAT-POS-590ac91e-49
0.306
SCO-CSI-071a6f1c-1
0.305
KEN-MCD-4729dc98-1
0.303
ERI-UCB-a0b0dbcb-5
0.300
ZAC-MCD-b48cf8fd-1
0.299
JAR-IMP-ed466bb3-4
0.299
ERI-UCB-a0b0dbcb-6
0.299
SIM-SYN-a98e6a07-1
0.299
MAT-POS-b5746674-57
0.296
ERI-UCB-d6de1f3c-1
0.295
DAR-DIA-53551c05-20
0.294
GIA-UNK-eaadd1d4-2
0.292
HUB-UNK-9845d277-12
0.291
ERI-UCB-a0b0dbcb-9
0.291
ERI-UCB-a0b0dbcb-8
0.290
ALE-MCD-a1893bfb-1
0.289
MAK-UNK-902cc841-7
0.288
NAU-LAT-56d5284e-5
0.288
IND-SYN-6c8299e8-2
0.287
NAU-LAT-c9bfe74c-3
0.287
MAT-POS-54c4bf04-4
0.287
SAN-PRS-3c4a6997-5
0.286
IND-SYN-6c8299e8-7
0.286
MAK-UNK-902cc841-8
0.283