Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCc2ccco2)c2ccccc2c1=O |
MW: | 339.16 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 76.27 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2610725716 |
MolPort: | MolPort-007-772-980 |
Activity Data | |
IC50 (µM) - Fluorescence: | 29.6429810673398 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-44
1.000
LON-WEI-4d77710c-16
0.576
LON-WEI-5e7d1b3e-16
0.576
MAT-POS-2492181e-11
0.576
MAT-POS-b5746674-109
0.576
MAT-POS-2492181e-12
0.573
LON-WEI-5e7d1b3e-28
0.568
LON-WEI-4d77710c-28
0.568
LON-WEI-4d77710c-55
0.567
LON-WEI-5e7d1b3e-55
0.567
LON-WEI-4d77710c-13
0.565
LON-WEI-5e7d1b3e-13
0.565
LON-WEI-5e7d1b3e-51
0.557
LON-WEI-4d77710c-51
0.557
MAT-POS-2492181e-7
0.552
MAT-POS-2492181e-4
0.547
LON-WEI-4d77710c-17
0.547
LON-WEI-5e7d1b3e-17
0.547
LON-WEI-4d77710c-9
0.542
LON-WEI-5e7d1b3e-9
0.542
LON-WEI-4d77710c-15
0.533
MAT-POS-b5746674-100
0.533
LON-WEI-5e7d1b3e-15
0.533
LON-WEI-5e7d1b3e-27
0.530
LON-WEI-4d77710c-27
0.530
LON-WEI-5e7d1b3e-60
0.527
LON-WEI-4d77710c-60
0.527
MAT-POS-2492181e-6
0.527
LON-WEI-4d77710c-40
0.522
LON-WEI-5e7d1b3e-40
0.522
LON-WEI-4d77710c-22
0.518
LON-WEI-5e7d1b3e-22
0.518
MAT-POS-2492181e-10
0.516
MAT-POS-b5746674-102
0.516
LON-WEI-5e7d1b3e-38
0.516
LON-WEI-4d77710c-38
0.516
LON-WEI-4d77710c-4
0.512
LON-WEI-5e7d1b3e-4
0.512
LON-WEI-4d77710c-21
0.506
LON-WEI-5e7d1b3e-21
0.506
LON-WEI-4d77710c-20
0.505
LON-WEI-5e7d1b3e-20
0.505
LON-WEI-5e7d1b3e-48
0.500
LON-WEI-5e7d1b3e-56
0.500
LON-WEI-4d77710c-56
0.500
MAT-POS-b5746674-104
0.500
LON-WEI-4d77710c-48
0.500
MAT-POS-af71705c-2
0.495
LON-WEI-5e7d1b3e-54
0.495
LON-WEI-4d77710c-54
0.495
MAT-POS-b5746674-107
0.495
LON-WEI-4d77710c-43
0.489
LON-WEI-5e7d1b3e-43
0.489
LON-WEI-5e7d1b3e-30
0.478
LON-WEI-4d77710c-30
0.478
LON-WEI-5e7d1b3e-34
0.478
MAT-POS-b5746674-101
0.478
LON-WEI-4d77710c-34
0.478
LON-WEI-4d77710c-42
0.474
LON-WEI-5e7d1b3e-42
0.474
MAT-POS-b5746674-105
0.474
LON-WEI-4d77710c-35
0.470
LON-WEI-5e7d1b3e-35
0.470
MAT-POS-b5746674-108
0.470
MAT-POS-2492181e-9
0.469
MAT-POS-2492181e-8
0.463
MAT-POS-b5746674-110
0.457
LON-WEI-4d77710c-29
0.444
LON-WEI-5e7d1b3e-29
0.444
LON-WEI-4d77710c-58
0.436
LON-WEI-5e7d1b3e-58
0.436
LON-WEI-5e7d1b3e-39
0.433
LON-WEI-4d77710c-39
0.433
MAT-POS-b5746674-103
0.432
MAT-POS-b5746674-99
0.427
LON-WEI-4d77710c-53
0.412
LON-WEI-5e7d1b3e-53
0.412
MAT-POS-b5746674-106
0.402
MAT-POS-b5746674-34
0.400
LON-WEI-5e7d1b3e-50
0.400
LON-WEI-4d77710c-50
0.400
MAT-POS-b5746674-35
0.385
LON-WEI-5e7d1b3e-49
0.374
LON-WEI-4d77710c-49
0.374
LON-WEI-5e7d1b3e-57
0.352
MAT-POS-b5746674-38
0.352
LON-WEI-4d77710c-57
0.352
MAT-POS-2492181e-2
0.352
LON-WEI-5e7d1b3e-1
0.347
LON-WEI-4d77710c-1
0.347
MAT-POS-2492181e-3
0.337
LON-WEI-5e7d1b3e-31
0.333
MAT-POS-2492181e-5
0.333
LON-WEI-4d77710c-31
0.333
LON-WEI-5e7d1b3e-59
0.327
LON-WEI-4d77710c-59
0.327
MAT-POS-b5746674-37
0.327
MAT-POS-b5746674-36
0.323
LON-WEI-4d77710c-45
0.323
MAT-POS-2492181e-1
0.323