Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCN2CCOCC2)c2ccccc2c1=O |
MW: | 372.22 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.6 |
cLogP: | 2.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4783455768 |
MolPort: | MolPort-007-772-987 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-16
1.000
MAT-POS-b5746674-109
1.000
LON-WEI-5e7d1b3e-16
1.000
MAT-POS-2492181e-7
0.738
LON-WEI-4d77710c-60
0.625
MAT-POS-2492181e-6
0.625
LON-WEI-5e7d1b3e-60
0.625
MAT-POS-b5746674-100
0.614
LON-WEI-5e7d1b3e-15
0.614
LON-WEI-4d77710c-15
0.614
LON-WEI-4d77710c-17
0.612
LON-WEI-5e7d1b3e-17
0.612
MAT-POS-2492181e-4
0.612
MAT-POS-2492181e-12
0.602
LON-WEI-4d77710c-40
0.584
LON-WEI-5e7d1b3e-40
0.584
LON-WEI-5e7d1b3e-51
0.584
LON-WEI-4d77710c-51
0.584
LON-WEI-4d77710c-44
0.576
LON-WEI-5e7d1b3e-44
0.576
MAT-POS-2492181e-10
0.576
LON-WEI-4d77710c-13
0.575
LON-WEI-5e7d1b3e-13
0.575
LON-WEI-4d77710c-27
0.541
LON-WEI-5e7d1b3e-27
0.541
LON-WEI-5e7d1b3e-20
0.532
LON-WEI-4d77710c-20
0.532
LON-WEI-5e7d1b3e-38
0.526
LON-WEI-5e7d1b3e-48
0.526
LON-WEI-4d77710c-38
0.526
MAT-POS-b5746674-102
0.526
LON-WEI-4d77710c-48
0.526
LON-WEI-5e7d1b3e-55
0.526
LON-WEI-4d77710c-55
0.526
LON-WEI-4d77710c-9
0.517
LON-WEI-5e7d1b3e-9
0.517
MAT-POS-2492181e-2
0.512
MAT-POS-b5746674-104
0.511
LON-WEI-4d77710c-35
0.510
MAT-POS-b5746674-108
0.510
LON-WEI-5e7d1b3e-35
0.510
MAT-POS-af71705c-2
0.505
MAT-POS-b5746674-105
0.500
MAT-POS-2492181e-9
0.495
LON-WEI-4d77710c-28
0.495
LON-WEI-5e7d1b3e-28
0.495
LON-WEI-4d77710c-22
0.494
LON-WEI-5e7d1b3e-22
0.494
MAT-POS-2492181e-8
0.490
LON-WEI-4d77710c-54
0.489
MAT-POS-b5746674-107
0.489
LON-WEI-5e7d1b3e-54
0.489
LON-WEI-5e7d1b3e-4
0.489
LON-WEI-4d77710c-4
0.489
MAT-POS-b5746674-110
0.484
LON-WEI-5e7d1b3e-21
0.484
LON-WEI-4d77710c-21
0.484
LON-WEI-4d77710c-56
0.478
LON-WEI-5e7d1b3e-56
0.478
LON-WEI-5e7d1b3e-30
0.474
LON-WEI-4d77710c-30
0.474
LON-WEI-5e7d1b3e-42
0.469
LON-WEI-4d77710c-42
0.469
LON-WEI-4d77710c-43
0.468
LON-WEI-5e7d1b3e-43
0.468
LON-WEI-5e7d1b3e-34
0.443
MAT-POS-b5746674-103
0.443
MAT-POS-b5746674-101
0.443
LON-WEI-4d77710c-34
0.443
MAT-POS-b5746674-99
0.439
LON-WEI-4d77710c-53
0.437
LON-WEI-5e7d1b3e-53
0.437
LON-WEI-4d77710c-58
0.433
LON-WEI-5e7d1b3e-58
0.433
LON-WEI-4d77710c-29
0.427
LON-WEI-5e7d1b3e-29
0.427
MAT-POS-b5746674-106
0.400
MAT-POS-2492181e-1
0.394
LON-WEI-4d77710c-52
0.394
LON-WEI-5e7d1b3e-52
0.394
MAT-POS-b5746674-98
0.382
LON-WEI-5e7d1b3e-7
0.382
LON-WEI-4d77710c-7
0.382
MAT-POS-2492181e-3
0.380
LON-WEI-5e7d1b3e-31
0.375
LON-WEI-4d77710c-31
0.375
MAT-POS-2492181e-5
0.375
MAR-LAB-ca4662a6-5
0.356
MAT-POS-b5746674-35
0.345
LON-WEI-4d77710c-50
0.333
MAT-POS-b5746674-34
0.333
LON-WEI-5e7d1b3e-50
0.333
LON-WEI-5e7d1b3e-49
0.330
LON-WEI-4d77710c-49
0.330
LON-WEI-5e7d1b3e-39
0.317
LON-WEI-4d77710c-39
0.317
DUN-NEW-f8ce3686-13
0.314
MAT-POS-4211dce8-1
0.312
MAT-POS-b5746674-36
0.310
LON-WEI-5e7d1b3e-45
0.310