Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2c1=O |
MW: | 417.24 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.34 |
cLogP: | 5.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9624982099 |
MolPort: | MolPort-007-772-976 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-54
1.000
MAT-POS-b5746674-107
1.000
MAT-POS-b5746674-110
0.667
MAT-POS-b5746674-101
0.614
LON-WEI-4d77710c-34
0.614
LON-WEI-5e7d1b3e-34
0.614
MAT-POS-b5746674-104
0.605
MAT-POS-b5746674-103
0.560
MAT-POS-b5746674-99
0.554
MAT-POS-b5746674-105
0.537
LON-WEI-4d77710c-53
0.515
LON-WEI-5e7d1b3e-53
0.515
LON-WEI-4d77710c-27
0.511
LON-WEI-5e7d1b3e-27
0.511
MAT-POS-2492181e-7
0.500
DRA-CSI-47e38074-15
0.500
LON-WEI-5e7d1b3e-13
0.495
LON-WEI-4d77710c-13
0.495
LON-WEI-4d77710c-44
0.495
LON-WEI-5e7d1b3e-44
0.495
LON-WEI-5e7d1b3e-16
0.489
MAT-POS-b5746674-109
0.489
LON-WEI-4d77710c-16
0.489
MAT-POS-2492181e-11
0.489
MAT-POS-2492181e-12
0.484
DRA-CSI-47e38074-7
0.483
LON-WEI-4d77710c-60
0.480
MAT-POS-2492181e-6
0.480
LON-WEI-5e7d1b3e-60
0.480
MAT-POS-af71705c-2
0.479
LON-WEI-5e7d1b3e-9
0.473
LON-WEI-4d77710c-9
0.473
LON-WEI-4d77710c-35
0.471
LON-WEI-5e7d1b3e-35
0.471
MAT-POS-b5746674-108
0.471
LON-WEI-4d77710c-38
0.470
LON-WEI-5e7d1b3e-38
0.470
MAT-POS-2492181e-9
0.470
MAT-POS-b5746674-102
0.470
LON-WEI-4d77710c-22
0.467
LON-WEI-5e7d1b3e-22
0.467
MAT-POS-2492181e-8
0.465
LON-WEI-4d77710c-43
0.458
LON-WEI-5e7d1b3e-43
0.458
MAT-POS-2492181e-10
0.455
DRA-CSI-47e38074-6
0.455
LON-WEI-5e7d1b3e-56
0.453
LON-WEI-4d77710c-56
0.453
MAT-POS-2492181e-4
0.448
LON-WEI-4d77710c-17
0.448
LON-WEI-5e7d1b3e-17
0.448
LON-WEI-4d77710c-4
0.447
LON-WEI-5e7d1b3e-4
0.447
DRA-CSI-47e38074-2
0.446
LON-WEI-4d77710c-42
0.446
LON-WEI-5e7d1b3e-42
0.446
DRA-CSI-47e38074-3
0.443
LON-WEI-5e7d1b3e-21
0.442
LON-WEI-4d77710c-21
0.442
LON-WEI-4d77710c-55
0.441
LON-WEI-5e7d1b3e-55
0.441
LON-WEI-5e7d1b3e-15
0.440
LON-WEI-4d77710c-15
0.440
MAT-POS-b5746674-100
0.440
DRA-CSI-47e38074-9
0.435
LON-WEI-5e7d1b3e-20
0.431
LON-WEI-4d77710c-20
0.431
LON-WEI-5e7d1b3e-40
0.430
LON-WEI-4d77710c-40
0.430
LON-WEI-5e7d1b3e-51
0.430
LON-WEI-4d77710c-51
0.430
LON-WEI-4d77710c-30
0.420
LON-WEI-5e7d1b3e-30
0.420
LON-WEI-5e7d1b3e-28
0.412
LON-WEI-4d77710c-28
0.412
DRA-CSI-47e38074-12
0.407
LON-WEI-4d77710c-48
0.400
LON-WEI-5e7d1b3e-48
0.400
DRA-CSI-47e38074-16
0.398
MAT-POS-b5746674-106
0.393
LON-WEI-4d77710c-29
0.393
LON-WEI-5e7d1b3e-29
0.393
LON-WEI-4d77710c-45
0.385
MAT-POS-b5746674-36
0.385
LON-WEI-5e7d1b3e-45
0.385
LON-WEI-5e7d1b3e-58
0.385
LON-WEI-4d77710c-58
0.385
DRA-CSI-47e38074-5
0.385
AAR-POS-fca48359-5
0.384
DRA-CSI-47e38074-4
0.368
DRA-CSI-47e38074-13
0.367
DRA-CSI-47e38074-8
0.362
DRA-CSI-47e38074-10
0.360
DRA-CSI-47e38074-14
0.356
DRA-CSI-47e38074-11
0.348
RED-RED-10c9212c-26
0.324
AAR-POS-fca48359-4
0.324
LON-WEI-4d77710c-46
0.314
MAT-POS-b5746674-97
0.314
LON-WEI-5e7d1b3e-46
0.314