Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 394.5 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 3.8663 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2571230026 |
MolPort: | MolPort-047-358-729 |
Order Status | |
Shipped: | 2020-04-09 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-9
0.703
LON-WEI-b8d98729-25
0.691
LON-WEI-b8d98729-44
0.688
LON-WEI-b8d98729-48
0.663
LON-WEI-b8d98729-1
0.657
LON-WEI-b8d98729-38
0.657
LON-WEI-adc59df6-79
0.636
LON-WEI-adc59df6-73
0.614
JAN-GHE-d851b096-8
0.602
LON-WEI-8f408cad-9
0.600
LON-WEI-8f408cad-8
0.600
LON-WEI-b8d98729-7
0.598
LON-WEI-adc59df6-103
0.593
LON-WEI-adc59df6-68
0.591
LON-WEI-adc59df6-80
0.586
LON-WEI-b8d98729-32
0.584
LON-WEI-adc59df6-70
0.580
LON-WEI-b8d98729-6
0.580
RAL-MED-9a5eb9cb-12
0.580
ERI-UCB-fbdd3ea1-4
0.580
LON-WEI-adc59df6-88
0.571
LON-WEI-adc59df6-101
0.571
LON-WEI-adc59df6-91
0.571
LON-WEI-adc59df6-84
0.570
LON-WEI-adc59df6-104
0.568
LON-WEI-d1c9908a-1
0.567
LON-WEI-adc59df6-74
0.565
LON-WEI-adc59df6-82
0.560
LON-WEI-b8d98729-10
0.560
LON-WEI-adc59df6-87
0.558
LON-WEI-adc59df6-100
0.552
LON-WEI-adc59df6-102
0.550
LON-WEI-adc59df6-95
0.548
LON-WEI-adc59df6-78
0.547
LON-WEI-adc59df6-65
0.536
LON-WEI-adc59df6-81
0.533
LON-WEI-adc59df6-85
0.515
LON-WEI-adc59df6-83
0.515
LON-WEI-b8d98729-23
0.500
ERI-UCB-fbdd3ea1-11
0.500
ERI-UCB-fbdd3ea1-13
0.490
ERI-UCB-fbdd3ea1-15
0.490
ALP-POS-e980f4ea-24
0.487
ERI-UCB-fbdd3ea1-17
0.480
ERI-UCB-fbdd3ea1-12
0.480
ERI-UCB-fbdd3ea1-16
0.475
LON-WEI-adc59df6-3
0.473
ERI-UCB-fbdd3ea1-30
0.470
BRU-THA-92256091-51
0.470
LON-WEI-adc59df6-35
0.469
LON-WEI-adc59df6-30
0.468
ALP-POS-ced8ea4d-24
0.466
LON-WEI-adc59df6-14
0.464
ERI-UCB-fbdd3ea1-31
0.461
LON-WEI-adc59df6-44
0.458
LON-WEI-adc59df6-21
0.457
ERI-UCB-fbdd3ea1-22
0.449
LON-WEI-adc59df6-72
0.448
ERI-UCB-fbdd3ea1-19
0.448
RAL-MED-9a5eb9cb-10
0.447
LON-WEI-adc59df6-8
0.446
NIR-WEI-f9286bb6-2
0.443
LON-WEI-adc59df6-42
0.440
ERI-UCB-fbdd3ea1-14
0.439
ERI-UCB-fbdd3ea1-18
0.439
LON-WEI-adc59df6-96
0.439
LON-WEI-d1c9908a-12
0.438
LON-WEI-adc59df6-39
0.437
RAL-MED-9a5eb9cb-15
0.436
LON-WEI-adc59df6-77
0.435
LON-WEI-adc59df6-31
0.434
LON-WEI-adc59df6-29
0.434
LON-WEI-adc59df6-69
0.434
LON-WEI-b8d98729-13
0.434
LON-WEI-adc59df6-41
0.431
ERI-UCB-fbdd3ea1-21
0.430
LON-WEI-b8d98729-35
0.429
LON-WEI-adc59df6-5
0.429
LON-WEI-adc59df6-10
0.427
LON-WEI-adc59df6-64
0.427
LON-WEI-adc59df6-90
0.426
NIM-NMI-8bb27a2b-24
0.426
LON-WEI-adc59df6-17
0.426
LON-WEI-adc59df6-26
0.426
LON-WEI-b8d98729-14
0.425
LON-WEI-adc59df6-33
0.425
LON-WEI-adc59df6-37
0.425
NIM-NMI-8bb27a2b-17
0.424
LON-WEI-adc59df6-93
0.424
LON-WEI-adc59df6-54
0.423
LON-WEI-adc59df6-71
0.422
LON-WEI-adc59df6-28
0.422
LON-WEI-adc59df6-62
0.422
LON-WEI-adc59df6-63
0.422
LON-WEI-adc59df6-99
0.420
LON-WEI-adc59df6-75
0.420
LON-WEI-adc59df6-97
0.420
ALP-POS-c59291d4-6
0.420
RIT-AID-a497c99f-1
0.419
LON-WEI-adc59df6-18
0.419