Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2c(ccn2C)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 390.487 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 67.23 |
cLogP: | 3.7483 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-420 |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-73
0.621
LON-WEI-adc59df6-68
0.615
LON-WEI-adc59df6-80
0.612
JAN-GHE-d851b096-8
0.609
LON-WEI-8f408cad-8
0.607
LON-WEI-8f408cad-9
0.607
LON-WEI-adc59df6-79
0.607
LON-WEI-adc59df6-103
0.600
LON-WEI-b8d98729-7
0.586
RAL-MED-9a5eb9cb-12
0.586
ERI-UCB-fbdd3ea1-4
0.586
LON-WEI-b8d98729-6
0.586
LON-WEI-b8d98729-32
0.573
LON-WEI-d1c9908a-1
0.573
LON-WEI-adc59df6-95
0.571
LON-WEI-b8d98729-31
0.568
LON-WEI-adc59df6-70
0.568
LON-WEI-b8d98729-10
0.567
LON-WEI-adc59df6-82
0.567
LON-WEI-adc59df6-101
0.560
LON-WEI-adc59df6-91
0.560
LON-WEI-adc59df6-84
0.559
LON-WEI-adc59df6-100
0.558
LON-WEI-adc59df6-74
0.554
LON-WEI-adc59df6-85
0.553
LON-WEI-adc59df6-88
0.545
LON-WEI-adc59df6-102
0.540
ERI-UCB-fbdd3ea1-11
0.538
LON-WEI-adc59df6-78
0.537
LON-WEI-adc59df6-87
0.531
ERI-UCB-fbdd3ea1-13
0.527
LON-WEI-adc59df6-65
0.526
LON-WEI-adc59df6-81
0.522
LON-WEI-adc59df6-83
0.520
LON-WEI-b8d98729-23
0.505
ERI-UCB-fbdd3ea1-17
0.500
ERI-UCB-fbdd3ea1-12
0.500
ERI-UCB-fbdd3ea1-15
0.495
ALP-POS-e980f4ea-20
0.491
ERI-UCB-fbdd3ea1-16
0.480
LON-WEI-adc59df6-3
0.478
ERI-UCB-fbdd3ea1-30
0.475
BRU-THA-92256091-65
0.474
ALP-POS-ced8ea4d-20
0.470
ERI-UCB-fbdd3ea1-31
0.465
ERI-UCB-fbdd3ea1-21
0.464
LON-WEI-adc59df6-21
0.462
LON-WEI-adc59df6-30
0.457
ERI-UCB-fbdd3ea1-14
0.457
LON-WEI-adc59df6-69
0.454
LON-WEI-adc59df6-77
0.453
ERI-UCB-fbdd3ea1-19
0.453
LON-WEI-adc59df6-72
0.453
RAL-MED-9a5eb9cb-10
0.452
LON-WEI-adc59df6-44
0.448
LON-WEI-adc59df6-35
0.444
LON-WEI-adc59df6-25
0.443
ERI-UCB-fbdd3ea1-18
0.443
LON-WEI-adc59df6-22
0.442
LON-WEI-adc59df6-28
0.440
LON-WEI-adc59df6-14
0.439
LON-WEI-adc59df6-29
0.439
LON-WEI-adc59df6-31
0.439
LON-WEI-adc59df6-97
0.439
ALP-POS-c59291d4-6
0.439
ERI-UCB-fbdd3ea1-22
0.439
ERI-UCB-fbdd3ea1-20
0.436
LON-WEI-adc59df6-41
0.436
NIR-WEI-f9286bb6-2
0.433
LON-WEI-d1c9908a-7
0.431
ALP-POS-88a7a97e-18
0.430
LON-WEI-adc59df6-17
0.430
LON-WEI-adc59df6-26
0.430
LON-WEI-adc59df6-42
0.430
NIM-NMI-8bb27a2b-24
0.430
LON-WEI-adc59df6-93
0.429
LON-WEI-adc59df6-96
0.429
LON-WEI-adc59df6-39
0.427
NIM-NMI-8bb27a2b-23
0.427
LON-WEI-adc59df6-71
0.426
LON-WEI-adc59df6-62
0.426
LON-WEI-adc59df6-63
0.426
LON-WEI-adc59df6-75
0.424
LON-WEI-adc59df6-99
0.424
RIT-AID-a497c99f-1
0.424
RIT-AID-af4ac3d4-1
0.423
LON-WEI-adc59df6-46
0.423
LON-WEI-adc59df6-60
0.423
LON-WEI-adc59df6-8
0.422
LON-WEI-adc59df6-27
0.422
LON-WEI-8f408cad-10
0.421
LON-WEI-adc59df6-5
0.419
LON-WEI-adc59df6-36
0.417
LON-WEI-adc59df6-64
0.417
LON-WEI-adc59df6-10
0.417
LON-WEI-adc59df6-40
0.417
JAN-GHE-d851b096-9
0.416
NIM-NMI-8bb27a2b-19
0.416
LON-WEI-adc59df6-86
0.416
LON-WEI-b8d98729-11
0.415