Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 359.1 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-567-652 |
Activity Data | |
IC50 (µM) - Fluorescence: | 77.1348411851101 |
IC50 (µM) - RapidFire: | 88.092330018011 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-09-15 |
betalactam
b-lactam
JAN-GHE-f4ca5a00-15
0.713
ALP-POS-3fc1724e-6
0.674
ALP-POS-3fc1724e-5
0.667
MAR-UCB-ad2ff052-1
0.591
TRY-UNI-2eddb1ff-7
0.586
WIL-MOD-03b86a88-1
0.586
MAR-UCB-ad2ff052-2
0.571
MAK-UNK-f203cb68-16
0.554
TRY-UNI-2eddb1ff-5
0.537
JAN-GHE-83b26c96-4
0.537
TRY-UNI-2eddb1ff-4
0.537
JAN-GHE-83b26c96-5
0.537
TRY-UNI-714a760b-18
0.537
TRY-UNI-2eddb1ff-3
0.532
DAR-DIA-1d7f034a-1
0.530
MAR-UCB-ad2ff052-3
0.530
MAK-UNK-f203cb68-7
0.522
ALP-POS-3fc1724e-7
0.500
RAL-THA-901e9a10-1
0.495
RAL-THA-901e9a10-6
0.489
RAL-THA-901e9a10-5
0.489
AHN-SAT-202241f6-1
0.487
TRY-UNI-714a760b-17
0.487
RAL-THA-901e9a10-2
0.484
RAL-THA-901e9a10-7
0.473
BRU-LEF-c49414a7-1
0.473
TRY-UNI-2eddb1ff-6
0.469
RAL-THA-901e9a10-3
0.469
RAL-THA-901e9a10-4
0.469
DAR-DIA-0cde14eb-71
0.461
MAK-UNK-f203cb68-17
0.449
DAR-DIA-23e5a6a0-30
0.448
MAK-UNK-f203cb68-15
0.444
DAR-DIA-0cde14eb-11
0.440
DAR-DIA-23e5a6a0-24
0.439
DAR-DIA-0cde14eb-70
0.438
RAL-THA-901e9a10-8
0.438
DAR-DIA-0cde14eb-26
0.434
ERI-UCB-5b47150d-1
0.434
MAT-POS-590ac91e-2
0.434
MAT-POS-590ac91e-1
0.434
DAR-DIA-0cde14eb-72
0.433
DAR-DIA-0cde14eb-73
0.433
MAK-UNK-f203cb68-21
0.433
TRY-UNI-bbd40bb4-6
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WIL-MOD-03b86a88-3
0.429
DAR-DIA-0cde14eb-10
0.429
DAR-DIA-0cde14eb-25
0.429
TRY-UNI-714a760b-22
0.427
DAR-DIA-23e5a6a0-22
0.426
MAK-UNK-f203cb68-19
0.426
JAN-GHE-83b26c96-9
0.425
EDG-MED-0da5ad92-5
0.425
DAR-DIA-0cde14eb-27
0.424
DAR-DIA-0cde14eb-28
0.424
DAR-DIA-0cde14eb-12
0.424
DAR-DIA-0cde14eb-13
0.424
MAK-UNK-f203cb68-8
0.421
DAR-DIA-23e5a6a0-26
0.420
MAK-UNK-f203cb68-4
0.418
RAL-MED-2de63afb-16
0.418
RAL-MED-2de63afb-15
0.418
SAM-UNK-2684b532-1
0.418
JAN-GHE-83b26c96-8
0.418
DAR-DIA-23e5a6a0-28
0.417
JAN-GHE-83b26c96-10
0.416
DAR-DIA-0cde14eb-75
0.415
MAT-POS-590ac91e-5
0.415
MAK-UNK-f203cb68-22
0.414
MAT-POS-590ac91e-16
0.412
MAT-POS-5d20d11c-1
0.412
MAT-POS-1e5f28a7-1
0.411
DAR-DIA-0cde14eb-15
0.411
MAT-POS-0d6fb2dd-1
0.409
MAT-POS-6c3d76b3-1
0.409
DAR-DIA-0cde14eb-30
0.408
MAK-UNK-f203cb68-6
0.406
MAK-UNK-f203cb68-20
0.406
BEN-DND-93268d01-3
0.405
BAR-COM-0f94fc3d-19
0.404
WIL-MOD-03b86a88-4
0.402
MAT-POS-590ac91e-13
0.400
TRY-UNI-714a760b-16
0.400
MAK-UNK-f203cb68-14
0.398
NAU-LAT-a5c7d7cb-3
0.392
VLA-UCB-05e51b3f-2
0.392
JAN-GHE-74b8b0cb-2
0.391
TRY-UNI-bbd40bb4-2
0.390
MAK-UNK-f203cb68-3
0.389
ALP-POS-a30bcdb4-2
0.389
MAK-UNK-f203cb68-5
0.388
DAN-RED-da448e80-9
0.387
BEN-DND-93268d01-2
0.386
MAT-POS-136e7878-2
0.385
MAT-POS-c9973a83-1
0.385
MAT-POS-53907a1c-2
0.383
MAK-UNK-f203cb68-12
0.382
SAM-UNK-2684b532-10
0.381
TRY-UNI-bbd40bb4-5
0.380
ALF-EVA-0b412456-4
0.380