Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)Nc2cccnc2)c2ccccc2c1=O |
MW: | 336.16 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 76.02 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9551680907 |
MolPort: | MolPort-007-773-067 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-22
1.000
LON-WEI-4d77710c-21
0.605
LON-WEI-5e7d1b3e-21
0.605
LON-WEI-5e7d1b3e-9
0.588
LON-WEI-4d77710c-9
0.588
LON-WEI-4d77710c-56
0.560
LON-WEI-5e7d1b3e-56
0.560
LON-WEI-5e7d1b3e-4
0.554
LON-WEI-4d77710c-4
0.554
MAT-POS-2492181e-8
0.551
MAT-POS-2492181e-9
0.538
LON-WEI-4d77710c-27
0.537
LON-WEI-5e7d1b3e-27
0.537
LON-WEI-4d77710c-17
0.535
MAT-POS-2492181e-4
0.535
LON-WEI-5e7d1b3e-17
0.535
LON-WEI-5e7d1b3e-30
0.534
LON-WEI-4d77710c-30
0.534
MAT-POS-af71705c-2
0.534
LON-WEI-5e7d1b3e-43
0.529
LON-WEI-4d77710c-43
0.529
MAT-POS-2492181e-12
0.524
LON-WEI-5e7d1b3e-44
0.518
LON-WEI-4d77710c-44
0.518
LON-WEI-4d77710c-51
0.511
LON-WEI-5e7d1b3e-51
0.511
LON-WEI-5e7d1b3e-13
0.500
LON-WEI-4d77710c-13
0.500
LON-WEI-4d77710c-29
0.495
LON-WEI-5e7d1b3e-29
0.495
MAT-POS-2492181e-11
0.494
LON-WEI-4d77710c-16
0.494
LON-WEI-5e7d1b3e-16
0.494
MAT-POS-b5746674-109
0.494
MAT-POS-b5746674-100
0.489
LON-WEI-4d77710c-15
0.489
LON-WEI-5e7d1b3e-15
0.489
MAT-POS-2492181e-7
0.489
LON-WEI-5e7d1b3e-58
0.485
LON-WEI-4d77710c-58
0.485
LON-WEI-5e7d1b3e-20
0.479
MAT-POS-b5746674-105
0.479
LON-WEI-4d77710c-20
0.479
LON-WEI-5e7d1b3e-40
0.478
LON-WEI-4d77710c-40
0.478
LON-WEI-4d77710c-55
0.474
LON-WEI-5e7d1b3e-55
0.474
LON-WEI-5e7d1b3e-28
0.473
LON-WEI-4d77710c-28
0.473
MAT-POS-b5746674-104
0.472
LON-WEI-5e7d1b3e-60
0.468
MAT-POS-2492181e-6
0.468
LON-WEI-4d77710c-60
0.468
LON-WEI-5e7d1b3e-54
0.467
MAT-POS-b5746674-107
0.467
LON-WEI-4d77710c-54
0.467
LON-WEI-5e7d1b3e-42
0.463
LON-WEI-4d77710c-42
0.463
MAT-POS-b5746674-99
0.462
MAT-POS-b5746674-110
0.462
LON-WEI-4d77710c-48
0.458
LON-WEI-5e7d1b3e-38
0.458
LON-WEI-5e7d1b3e-48
0.458
LON-WEI-4d77710c-38
0.458
MAT-POS-b5746674-102
0.458
MAT-POS-2492181e-10
0.458
MAT-POS-b5746674-106
0.449
LON-WEI-5e7d1b3e-35
0.446
LON-WEI-4d77710c-35
0.446
MAT-POS-b5746674-108
0.446
MAT-POS-b5746674-101
0.436
LON-WEI-4d77710c-34
0.436
LON-WEI-5e7d1b3e-34
0.436
MAT-POS-b5746674-103
0.436
MAK-UNK-d1e89583-2
0.429
IAN-BAS-df1706d7-1
0.417
LON-WEI-4d77710c-53
0.416
LON-WEI-5e7d1b3e-53
0.416
MAK-UNK-d1e89583-4
0.416
BAR-COM-5694a99d-4
0.414
DAR-DIA-842b4336-2
0.408
BAR-COM-5694a99d-5
0.404
AAR-POS-d2a4d1df-11
0.403
DAR-DIA-842b4336-4
0.403
TAM-UNI-c140e31a-19
0.398
SAD-SAT-689b7d5a-8
0.395
BAR-COM-5694a99d-3
0.393
SAD-SAT-689b7d5a-4
0.393
JIA-UNI-12b1f9ae-1
0.393
MAK-UNK-d1e89583-1
0.390
SAD-SAT-689b7d5a-5
0.386
DAR-DIA-842b4336-3
0.385
MAK-UNK-129dcd6f-4
0.385
MAK-UNK-129dcd6f-5
0.382
BAR-COM-5694a99d-2
0.378
WIL-UNI-5578df48-24
0.378
WAR-XCH-eb7b662f-3
0.377
BAR-COM-5694a99d-1
0.374
SAD-SAT-cefd50cc-1
0.373
MAR-TRE-4b834d9a-27
0.372