Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)Nc1ccccc1Br)c1cccnc1 |
MW: | 494.389 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 5.4505 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4438424215 |
Order Status | |
Shipped: | 2020-04-09 |
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-41
0.709
LON-WEI-d1c9908a-12
0.697
LON-WEI-b8d98729-8
0.685
LON-WEI-b8d98729-10
0.671
LON-WEI-b8d98729-22
0.667
LON-WEI-b8d98729-13
0.634
LON-WEI-b8d98729-45
0.632
LON-WEI-b8d98729-17
0.619
LON-WEI-adc59df6-18
0.585
LON-WEI-adc59df6-42
0.582
LON-WEI-adc59df6-9
0.541
LON-WEI-adc59df6-34
0.541
LON-WEI-d1c9908a-9
0.535
LON-WEI-d1c9908a-3
0.530
LON-WEI-adc59df6-33
0.525
LON-WEI-adc59df6-21
0.522
LON-WEI-adc59df6-45
0.520
LON-WEI-d1c9908a-7
0.515
BRU-LEF-973da26b-1
0.510
LON-WEI-b8d98729-40
0.510
LON-WEI-adc59df6-3
0.506
LON-WEI-adc59df6-16
0.505
LON-WEI-b8d98729-37
0.505
LON-WEI-b8d98729-28
0.505
LON-WEI-adc59df6-5
0.500
LON-WEI-adc59df6-80
0.500
LON-WEI-d1c9908a-13
0.500
LON-WEI-b8d98729-35
0.500
LON-WEI-d1c9908a-4
0.495
LON-WEI-b8d98729-36
0.495
LON-WEI-adc59df6-12
0.495
LON-WEI-adc59df6-37
0.495
LON-WEI-b8d98729-47
0.495
LON-WEI-8f408cad-8
0.495
LON-WEI-b8d98729-12
0.490
LON-WEI-b8d98729-27
0.490
LON-WEI-d1c9908a-11
0.490
RIT-AID-af4ac3d4-1
0.490
BRU-LEF-8bac3ce8-1
0.490
LON-WEI-adc59df6-41
0.490
RAL-MED-9a5eb9cb-9
0.490
LON-WEI-adc59df6-44
0.489
LON-WEI-adc59df6-26
0.485
LON-WEI-adc59df6-30
0.484
LON-WEI-adc59df6-24
0.481
LON-WEI-d1c9908a-5
0.480
LON-WEI-adc59df6-31
0.479
LON-WEI-adc59df6-14
0.479
RAL-MED-9a5eb9cb-10
0.478
LON-WEI-adc59df6-7
0.476
LON-WEI-adc59df6-46
0.475
NIM-NMI-8bb27a2b-22
0.475
LON-WEI-adc59df6-27
0.475
LON-WEI-b8d98729-26
0.472
LON-WEI-adc59df6-2
0.471
JAN-GHE-d851b096-4
0.470
LON-WEI-b8d98729-24
0.470
LON-WEI-adc59df6-35
0.469
NIM-NMI-8bb27a2b-19
0.469
LON-WEI-b8d98729-33
0.466
LON-WEI-adc59df6-15
0.466
LON-WEI-d1c9908a-10
0.466
NIM-NMI-8bb27a2b-25
0.466
LON-WEI-adc59df6-28
0.465
LON-WEI-adc59df6-29
0.464
LON-WEI-b8d98729-6
0.463
RAL-MED-9a5eb9cb-12
0.463
ERI-UCB-fbdd3ea1-4
0.463
LON-WEI-b8d98729-7
0.463
LON-WEI-adc59df6-1
0.461
LON-WEI-adc59df6-8
0.460
LON-WEI-b8d98729-30
0.458
LON-WEI-d1c9908a-2
0.456
LON-WEI-adc59df6-36
0.455
LON-WEI-adc59df6-40
0.455
NIM-NMI-8bb27a2b-24
0.455
LON-WEI-adc59df6-17
0.455
LON-WEI-adc59df6-95
0.455
LON-WEI-adc59df6-11
0.454
LON-WEI-d1c9908a-1
0.454
NIM-NMI-8bb27a2b-17
0.454
LON-WEI-adc59df6-6
0.453
LON-WEI-b8d98729-1
0.451
LON-WEI-adc59df6-39
0.451
LON-WEI-adc59df6-13
0.450
LON-WEI-adc59df6-82
0.449
LON-WEI-adc59df6-4
0.449
LON-WEI-adc59df6-43
0.449
LON-WEI-b8d98729-2
0.448
NIM-NMI-8bb27a2b-21
0.448
LON-WEI-adc59df6-84
0.446
LON-WEI-adc59df6-91
0.444
ERI-UCB-fbdd3ea1-2
0.443
ERI-UCB-fbdd3ea1-1
0.443
LON-WEI-b8d98729-39
0.443
LON-WEI-b8d98729-29
0.443
LON-WEI-adc59df6-10
0.441
LON-WEI-adc59df6-79
0.440
NIM-NMI-8bb27a2b-26
0.439
LON-WEI-b8d98729-14
0.438