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
TRY-UNI-2eddb1ff-6
1.000
RAL-THA-901e9a10-4
0.800
RAL-THA-901e9a10-5
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RAL-THA-901e9a10-1
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RAL-THA-901e9a10-6
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TRY-UNI-2eddb1ff-7
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RAL-THA-901e9a10-2
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WIL-MOD-03b86a88-1
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BRU-LEF-c49414a7-1
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RAL-THA-901e9a10-7
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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
TRY-UNI-69298daf-6
0.515
DAR-DIA-23e5a6a0-22
0.515
TRY-UNI-2eddb1ff-1
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TRY-UNI-69298daf-4
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DAR-DIA-23e5a6a0-26
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TRY-UNI-714a760b-20
0.506
WIL-MOD-03b86a88-4
0.495
DAR-DIA-23e5a6a0-28
0.490
TRY-UNI-bbd40bb4-1
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MAT-POS-c9973a83-1
0.483
MAR-UCB-ad2ff052-2
0.475
MAR-UCB-ad2ff052-1
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TRY-UNI-2eddb1ff-8
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WIL-MOD-03b86a88-2
0.467
DAR-DIA-23e5a6a0-29
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EDJ-MED-e58735b6-1
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MAR-UCB-ad2ff052-3
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DAR-DIA-1d7f034a-1
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DAR-DIA-23e5a6a0-23
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DAR-DIA-23e5a6a0-25
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ALP-POS-95b75b4d-4
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ERI-UCB-ce40166b-9
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ENA-ENA-cf881d10-1
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MAT-POS-e501d84c-1
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RAL-THA-6b94ceba-16
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WIL-MOD-03b86a88-3
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PET-SGC-175e168c-1
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GAB-REV-70cc3ca5-19
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WIL-MOD-03b86a88-5
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RAL-THA-6b94ceba-1
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RAL-THA-6b94ceba-3
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ANN-UNI-98d2bf15-5
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MIH-UNI-6b9ca91a-1
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ALP-POS-3fc1724e-6
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DAR-DIA-23e5a6a0-21
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JAN-GHE-83b26c96-11
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TRY-UNI-714a760b-5
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RAL-THA-6b94ceba-8
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WIL-MOD-03b86a88-6
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ALP-POS-3b848b35-2
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MAT-POS-3b92565d-3
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EDJ-MED-7320d5d2-1
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RAL-THA-6b94ceba-10
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TRY-UNI-9f475305-1
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RAL-THA-6b94ceba-9
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DAR-DIA-0cde14eb-14
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NAU-LAT-0543f7f2-2
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RAL-THA-6b94ceba-15
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ALF-EVA-0b412456-1
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TRY-UNI-2eddb1ff-2
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EDG-MED-0da5ad92-8
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MAT-POS-044491d2-7
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ASH-SAT-43770c7d-9
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RAL-THA-6b94ceba-6
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DAR-DIA-0cde14eb-29
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ALF-EVA-0b412456-2
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ALF-EVA-0b412456-6
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RAL-THA-6b94ceba-4
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RAL-THA-6b94ceba-12
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RAL-THA-6b94ceba-14
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DAR-DIA-0cde14eb-16
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MAT-POS-044491d2-1
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NAU-LAT-0543f7f2-1
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MAT-POS-044491d2-3
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ALP-POS-95b75b4d-2
0.414
EDJ-MED-e58735b6-2
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TRY-UNI-714a760b-6
0.414
JAN-GHE-83b26c96-13
0.414
PET-SGC-276eba5a-1
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DAR-DIA-0cde14eb-1
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CHO-MSK-6e55470f-6
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CHO-MSK-6e55470f-5
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RAL-THA-6b94ceba-2
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CHO-MSK-6e55470f-8
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CHO-MSK-6e55470f-9
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ALP-POS-3fc1724e-5
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EDJ-MED-e58735b6-4
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