Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NC2CCCc3ccccc32)c2ccccc2c1=O |
MW: | 389.21 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.13 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6960761874 |
MolPort: | MolPort-007-773-056 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-42
1.000
LON-WEI-4d77710c-27
0.612
LON-WEI-5e7d1b3e-27
0.612
LON-WEI-4d77710c-13
0.521
LON-WEI-5e7d1b3e-13
0.521
MAT-POS-2492181e-7
0.510
MAT-POS-b5746674-105
0.500
MAT-POS-2492181e-10
0.480
MAT-POS-2492181e-6
0.475
LON-WEI-5e7d1b3e-60
0.475
LON-WEI-4d77710c-60
0.475
MAT-POS-2492181e-8
0.475
LON-WEI-5e7d1b3e-34
0.475
LON-WEI-4d77710c-34
0.475
MAT-POS-b5746674-101
0.475
LON-WEI-4d77710c-4
0.474
LON-WEI-5e7d1b3e-4
0.474
LON-WEI-4d77710c-44
0.474
LON-WEI-5e7d1b3e-44
0.474
LON-WEI-5e7d1b3e-40
0.470
LON-WEI-4d77710c-40
0.470
MAT-POS-b5746674-109
0.469
LON-WEI-4d77710c-16
0.469
MAT-POS-2492181e-11
0.469
LON-WEI-5e7d1b3e-16
0.469
LON-WEI-5e7d1b3e-21
0.469
LON-WEI-4d77710c-21
0.469
LON-WEI-4d77710c-9
0.468
LON-WEI-5e7d1b3e-9
0.468
LON-WEI-4d77710c-55
0.466
MAT-POS-2492181e-9
0.466
LON-WEI-5e7d1b3e-55
0.466
MAT-POS-b5746674-100
0.465
LON-WEI-5e7d1b3e-15
0.465
LON-WEI-4d77710c-15
0.465
MAT-POS-2492181e-12
0.463
LON-WEI-4d77710c-22
0.463
LON-WEI-5e7d1b3e-22
0.463
MAT-POS-af71705c-2
0.460
LON-WEI-4d77710c-43
0.455
LON-WEI-5e7d1b3e-43
0.455
LON-WEI-5e7d1b3e-28
0.451
LON-WEI-4d77710c-28
0.451
LON-WEI-4d77710c-56
0.449
LON-WEI-5e7d1b3e-56
0.449
LON-WEI-5e7d1b3e-54
0.446
MAT-POS-b5746674-107
0.446
LON-WEI-4d77710c-54
0.446
LON-WEI-5e7d1b3e-30
0.446
LON-WEI-4d77710c-30
0.446
LON-WEI-4d77710c-17
0.444
MAT-POS-2492181e-4
0.444
LON-WEI-5e7d1b3e-17
0.444
LON-WEI-4d77710c-35
0.440
LON-WEI-5e7d1b3e-35
0.440
MAT-POS-b5746674-108
0.440
MAT-POS-b5746674-104
0.434
LON-WEI-4d77710c-20
0.429
LON-WEI-5e7d1b3e-20
0.429
LON-WEI-5e7d1b3e-51
0.427
LON-WEI-4d77710c-51
0.427
LON-WEI-5e7d1b3e-38
0.425
LON-WEI-4d77710c-38
0.425
LON-WEI-4d77710c-48
0.425
LON-WEI-5e7d1b3e-48
0.425
MAT-POS-b5746674-102
0.425
LON-WEI-5e7d1b3e-29
0.417
LON-WEI-4d77710c-29
0.417
LON-WEI-4d77710c-53
0.413
LON-WEI-5e7d1b3e-53
0.413
MAT-POS-b5746674-110
0.412
LON-WEI-5e7d1b3e-58
0.409
LON-WEI-4d77710c-58
0.409
MAT-POS-b5746674-103
0.404
MAT-POS-b5746674-99
0.400
MAT-POS-b5746674-106
0.378
MAR-TRE-04c86cea-77
0.370
MAT-POS-b5746674-97
0.365
LON-WEI-5e7d1b3e-46
0.365
LON-WEI-4d77710c-46
0.365
MAT-POS-2492181e-2
0.317
LON-WEI-4d77710c-7
0.301
MAT-POS-b5746674-98
0.301
LON-WEI-5e7d1b3e-7
0.301
LON-WEI-5e7d1b3e-47
0.298
LON-WEI-4d77710c-47
0.298
MAT-POS-b5746674-42
0.298
ANT-OPE-7b52af4b-1
0.288
MAT-POS-af71705c-1
0.287
AAR-UNI-c25c2f1e-4
0.287
LON-WEI-5e7d1b3e-39
0.287
LON-WEI-4d77710c-39
0.287
LON-WEI-4d77710c-49
0.286
LON-WEI-5e7d1b3e-49
0.286
LON-WEI-5e7d1b3e-1
0.279
LON-WEI-4d77710c-1
0.279
MAT-POS-2492181e-3
0.279
LON-WEI-4d77710c-33
0.278
LON-WEI-5e7d1b3e-33
0.278
MAT-POS-b5746674-37
0.277