Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCC2=CCCCC2)c2ccccc2c1=O |
MW: | 367.23 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 63.13 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2834903733 |
MolPort: | MolPort-007-772-940 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
isolated alkene
Filter82_pyridinium
LON-WEI-5e7d1b3e-40
1.000
LON-WEI-5e7d1b3e-17
0.628
LON-WEI-4d77710c-17
0.628
MAT-POS-2492181e-4
0.628
LON-WEI-4d77710c-51
0.600
LON-WEI-5e7d1b3e-51
0.600
MAT-POS-2492181e-11
0.584
MAT-POS-b5746674-109
0.584
LON-WEI-5e7d1b3e-16
0.584
LON-WEI-4d77710c-16
0.584
MAT-POS-2492181e-12
0.581
MAT-POS-2492181e-7
0.578
MAT-POS-b5746674-100
0.576
LON-WEI-4d77710c-15
0.576
LON-WEI-5e7d1b3e-15
0.576
LON-WEI-5e7d1b3e-48
0.574
LON-WEI-4d77710c-48
0.574
LON-WEI-5e7d1b3e-20
0.564
LON-WEI-4d77710c-20
0.564
MAT-POS-2492181e-10
0.558
LON-WEI-5e7d1b3e-13
0.538
LON-WEI-4d77710c-13
0.538
LON-WEI-5e7d1b3e-60
0.537
MAT-POS-2492181e-6
0.537
LON-WEI-4d77710c-60
0.537
LON-WEI-5e7d1b3e-38
0.526
MAT-POS-b5746674-102
0.526
LON-WEI-4d77710c-38
0.526
LON-WEI-5e7d1b3e-27
0.523
LON-WEI-4d77710c-27
0.523
LON-WEI-5e7d1b3e-44
0.522
LON-WEI-4d77710c-44
0.522
LON-WEI-4d77710c-55
0.495
LON-WEI-5e7d1b3e-55
0.495
LON-WEI-5e7d1b3e-28
0.495
LON-WEI-4d77710c-28
0.495
LON-WEI-5e7d1b3e-4
0.489
LON-WEI-4d77710c-4
0.489
LON-WEI-4d77710c-9
0.484
LON-WEI-5e7d1b3e-9
0.484
LON-WEI-4d77710c-22
0.478
LON-WEI-5e7d1b3e-22
0.478
MAT-POS-af71705c-2
0.474
LON-WEI-5e7d1b3e-42
0.470
LON-WEI-4d77710c-42
0.470
LON-WEI-5e7d1b3e-21
0.468
LON-WEI-4d77710c-21
0.468
MAT-POS-b5746674-108
0.467
LON-WEI-4d77710c-35
0.467
LON-WEI-5e7d1b3e-35
0.467
LON-WEI-5e7d1b3e-56
0.463
LON-WEI-4d77710c-56
0.463
LON-WEI-4d77710c-43
0.454
LON-WEI-5e7d1b3e-43
0.454
MAT-POS-2492181e-9
0.451
MAT-POS-b5746674-104
0.448
MAT-POS-2492181e-8
0.446
LON-WEI-5e7d1b3e-30
0.444
LON-WEI-4d77710c-30
0.444
MAT-POS-b5746674-105
0.441
LON-WEI-5e7d1b3e-34
0.430
LON-WEI-4d77710c-54
0.430
MAT-POS-b5746674-101
0.430
MAT-POS-b5746674-107
0.430
MAT-POS-b5746674-103
0.430
LON-WEI-5e7d1b3e-54
0.430
LON-WEI-4d77710c-34
0.430
MAT-POS-b5746674-110
0.424
LON-WEI-5e7d1b3e-29
0.415
LON-WEI-4d77710c-29
0.415
MAT-POS-b5746674-99
0.412
LON-WEI-5e7d1b3e-53
0.411
LON-WEI-4d77710c-53
0.411
LON-WEI-4d77710c-58
0.407
LON-WEI-5e7d1b3e-58
0.407
MAT-POS-2492181e-2
0.398
MAT-POS-2492181e-1
0.396
LON-WEI-5e7d1b3e-52
0.396
LON-WEI-4d77710c-52
0.396
MAT-POS-b5746674-106
0.389
LON-WEI-4d77710c-31
0.378
MAT-POS-2492181e-5
0.378
LON-WEI-5e7d1b3e-31
0.378
MAT-POS-2492181e-3
0.354
LON-WEI-4d77710c-7
0.333
LON-WEI-5e7d1b3e-7
0.333
MAT-POS-b5746674-98
0.333
MAT-POS-b5746674-35
0.325
MAR-TRE-b77b7921-61
0.325
MAR-TRE-b77b7921-92
0.324
LON-WEI-4d77710c-49
0.307
LON-WEI-5e7d1b3e-49
0.307
LON-WEI-4d77710c-50
0.301
LON-WEI-5e7d1b3e-50
0.301
MAT-POS-b5746674-34
0.301
LON-WEI-4d77710c-1
0.299
LON-WEI-5e7d1b3e-1
0.299
LON-WEI-4d77710c-39
0.295
LON-WEI-5e7d1b3e-39
0.295
MAT-POS-af71705c-1
0.283