Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1 |
MW: | 336.12 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 104.11 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-945 |
Activity Data | |
IC50 (µM) - Fluorescence: | 11.5701415774751 |
IC50 (µM) - RapidFire: | 8.63062448649481 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-09-01 |
betalactam
b-lactam
RAL-THA-901e9a10-3
1.000
RAL-THA-901e9a10-4
0.800
RAL-THA-901e9a10-5
0.728
RAL-THA-901e9a10-1
0.716
RAL-THA-901e9a10-6
0.707
WIL-MOD-03b86a88-1
0.699
RAL-THA-901e9a10-2
0.699
TRY-UNI-2eddb1ff-7
0.699
RAL-THA-901e9a10-7
0.631
BRU-LEF-c49414a7-1
0.631
TRY-UNI-bbd40bb4-2
0.578
TRY-UNI-69298daf-2
0.573
DAR-DIA-23e5a6a0-30
0.543
RAL-THA-901e9a10-8
0.533
DAR-DIA-23e5a6a0-24
0.532
DAR-DIA-23e5a6a0-22
0.515
TRY-UNI-69298daf-6
0.515
TRY-UNI-2eddb1ff-1
0.512
TRY-UNI-69298daf-4
0.511
DAR-DIA-23e5a6a0-26
0.510
TRY-UNI-714a760b-20
0.506
WIL-MOD-03b86a88-4
0.495
DAR-DIA-23e5a6a0-28
0.490
TRY-UNI-bbd40bb4-1
0.489
MAT-POS-c9973a83-1
0.483
MAR-UCB-ad2ff052-2
0.475
MAR-UCB-ad2ff052-1
0.474
TRY-UNI-2eddb1ff-8
0.469
WIL-MOD-03b86a88-2
0.467
DAR-DIA-23e5a6a0-29
0.454
EDJ-MED-e58735b6-1
0.448
ALP-POS-95b75b4d-4
0.444
MAR-UCB-ad2ff052-3
0.444
DAR-DIA-23e5a6a0-25
0.444
DAR-DIA-1d7f034a-1
0.444
DAR-DIA-23e5a6a0-23
0.444
ERI-UCB-ce40166b-9
0.442
VLA-UCB-00f2c2b3-2
0.440
ENA-ENA-cf881d10-1
0.438
NAU-LAT-0543f7f2-5
0.438
JAN-GHE-f4ca5a00-15
0.434
ALF-EVA-0b412456-4
0.434
ALF-EVA-0b412456-3
0.434
MAT-POS-e501d84c-1
0.432
RAL-THA-6b94ceba-11
0.432
TRY-UNI-bbd40bb4-6
0.432
PET-SGC-175e168c-1
0.430
RAL-THA-6b94ceba-16
0.430
WIL-MOD-03b86a88-3
0.430
WIL-MOD-03b86a88-5
0.430
TRY-UNI-1fd04853-1
0.430
GAB-REV-70cc3ca5-19
0.430
RAL-THA-6b94ceba-1
0.430
RAL-THA-6b94ceba-3
0.430
ANN-UNI-98d2bf15-5
0.429
MIH-UNI-6b9ca91a-1
0.429
ALP-POS-3fc1724e-6
0.427
DAR-DIA-23e5a6a0-21
0.427
TRY-UNI-714a760b-5
0.427
JAN-GHE-83b26c96-11
0.427
RAL-THA-6b94ceba-8
0.426
WIL-MOD-03b86a88-6
0.426
ALP-POS-3b848b35-2
0.423
EDJ-MED-7320d5d2-1
0.423
MAT-POS-3b92565d-3
0.423
RAL-THA-6b94ceba-10
0.423
TRY-UNI-9f475305-1
0.422
DAR-DIA-0cde14eb-14
0.421
RAL-THA-6b94ceba-9
0.421
NAU-LAT-0543f7f2-2
0.420
RAL-THA-6b94ceba-15
0.419
ALF-EVA-0b412456-1
0.419
EDG-MED-0da5ad92-8
0.419
TRY-UNI-2eddb1ff-2
0.419
MAT-POS-044491d2-7
0.418
ASH-SAT-43770c7d-9
0.418
RAL-THA-6b94ceba-6
0.418
DAR-DIA-0cde14eb-29
0.417
ALF-EVA-0b412456-2
0.417
ALF-EVA-0b412456-6
0.417
RAL-THA-6b94ceba-4
0.416
RAL-THA-6b94ceba-14
0.415
RAL-THA-6b94ceba-12
0.415
NAU-LAT-0543f7f2-1
0.414
MAT-POS-044491d2-3
0.414
MAT-POS-044491d2-1
0.414
DAR-DIA-0cde14eb-16
0.414
JAN-GHE-83b26c96-13
0.414
TRY-UNI-714a760b-6
0.414
EDJ-MED-e58735b6-2
0.414
ALP-POS-95b75b4d-2
0.414
PET-SGC-276eba5a-1
0.413
DAR-DIA-0cde14eb-1
0.413
CHO-MSK-6e55470f-6
0.413
CHO-MSK-6e55470f-5
0.412
RAL-THA-6b94ceba-2
0.412
CHO-MSK-6e55470f-9
0.411
CHO-MSK-6e55470f-8
0.411
ALP-POS-3fc1724e-5
0.411
DAR-DIA-0cde14eb-74
0.411