Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O |
MW: | 402.21 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 78.92 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1576841834 |
MolPort: | MolPort-007-773-090 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-20
1.000
LON-WEI-5e7d1b3e-48
0.624
LON-WEI-4d77710c-48
0.624
LON-WEI-5e7d1b3e-17
0.589
LON-WEI-4d77710c-17
0.589
MAT-POS-2492181e-4
0.589
MAT-POS-2492181e-12
0.580
LON-WEI-4d77710c-40
0.564
LON-WEI-5e7d1b3e-40
0.564
LON-WEI-4d77710c-51
0.564
LON-WEI-5e7d1b3e-51
0.564
MAT-POS-b5746674-109
0.532
MAT-POS-2492181e-11
0.532
LON-WEI-5e7d1b3e-16
0.532
LON-WEI-4d77710c-16
0.532
MAT-POS-2492181e-7
0.526
LON-WEI-5e7d1b3e-15
0.526
LON-WEI-4d77710c-15
0.526
MAT-POS-b5746674-100
0.526
MAT-POS-2492181e-10
0.510
LON-WEI-5e7d1b3e-38
0.510
LON-WEI-4d77710c-38
0.510
MAT-POS-b5746674-102
0.510
LON-WEI-4d77710c-44
0.505
LON-WEI-5e7d1b3e-44
0.505
LON-WEI-4d77710c-60
0.505
LON-WEI-5e7d1b3e-60
0.505
MAT-POS-2492181e-6
0.505
SAN-PRS-3c4a6997-2
0.500
LON-WEI-4d77710c-13
0.490
LON-WEI-5e7d1b3e-13
0.490
LON-WEI-4d77710c-27
0.489
LON-WEI-5e7d1b3e-27
0.489
LON-WEI-4d77710c-28
0.480
LON-WEI-5e7d1b3e-28
0.480
LON-WEI-4d77710c-22
0.479
LON-WEI-5e7d1b3e-22
0.479
LON-WEI-5e7d1b3e-4
0.474
LON-WEI-4d77710c-4
0.474
LON-WEI-5e7d1b3e-21
0.469
LON-WEI-4d77710c-21
0.469
LON-WEI-5e7d1b3e-9
0.468
LON-WEI-4d77710c-9
0.468
LON-WEI-5e7d1b3e-55
0.466
LON-WEI-4d77710c-55
0.466
LON-WEI-4d77710c-56
0.449
LON-WEI-5e7d1b3e-56
0.449
MAT-POS-af71705c-2
0.446
LON-WEI-4d77710c-30
0.446
LON-WEI-5e7d1b3e-30
0.446
AAR-UNI-c25c2f1e-73
0.443
AAR-UNI-c25c2f1e-26
0.442
MAT-POS-b5746674-105
0.442
MAR-TRE-fd17a9b8-35
0.442
LON-WEI-5e7d1b3e-43
0.440
LON-WEI-4d77710c-43
0.440
MAT-POS-b5746674-107
0.431
LON-WEI-5e7d1b3e-54
0.431
LON-WEI-4d77710c-54
0.431
LON-WEI-5e7d1b3e-29
0.430
LON-WEI-4d77710c-29
0.430
LON-WEI-4d77710c-42
0.429
LON-WEI-5e7d1b3e-42
0.429
MAT-POS-b5746674-108
0.427
LON-WEI-4d77710c-35
0.427
LON-WEI-5e7d1b3e-35
0.427
AAR-UNI-c25c2f1e-72
0.427
MAT-POS-b5746674-104
0.420
MAT-POS-2492181e-8
0.419
MAT-POS-b5746674-101
0.417
LON-WEI-5e7d1b3e-34
0.417
LON-WEI-4d77710c-34
0.417
MAT-POS-b5746674-110
0.412
MAT-POS-2492181e-9
0.411
LON-WEI-4d77710c-58
0.409
LON-WEI-5e7d1b3e-58
0.409
MAR-TRE-fd17a9b8-10
0.406
MAT-POS-b5746674-99
0.400
MAT-POS-b5746674-106
0.391
MAT-POS-b5746674-103
0.390
LON-WEI-5e7d1b3e-53
0.387
LON-WEI-4d77710c-53
0.387
MAT-POS-2492181e-1
0.370
LON-WEI-4d77710c-52
0.370
LON-WEI-5e7d1b3e-52
0.370
LON-WEI-5e7d1b3e-31
0.366
LON-WEI-4d77710c-31
0.366
MAT-POS-2492181e-5
0.366
MAT-POS-2492181e-3
0.357
NIC-BIO-3276ca7f-2
0.347
MAR-TRE-fd17a9b8-18
0.345
MAR-UCB-195bc32d-22
0.344
MAT-POS-2492181e-2
0.343
JOH-MSK-a63bdd1d-10
0.341
CUN-WAB-25b584ee-2
0.341
MAR-UCB-195bc32d-9
0.340
NIC-BIO-3276ca7f-7
0.337
MAR-TRE-b77b7921-67
0.336
CUN-WAB-25b584ee-1
0.330
AAR-UNI-c25c2f1e-29
0.327