Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 345.09 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-944 |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.62890272713825 |
IC50 (µM) - RapidFire: | 0.940748777754165 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
betalactam
b-lactam
TRY-UNI-2eddb1ff-7
1.000
DAR-DIA-23e5a6a0-30
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DAR-DIA-23e5a6a0-24
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RAL-THA-901e9a10-1
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DAR-DIA-23e5a6a0-22
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RAL-THA-901e9a10-5
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RAL-THA-901e9a10-6
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DAR-DIA-23e5a6a0-26
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RAL-THA-901e9a10-2
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WIL-MOD-03b86a88-4
0.700
RAL-THA-901e9a10-3
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RAL-THA-901e9a10-4
0.699
TRY-UNI-2eddb1ff-6
0.699
DAR-DIA-23e5a6a0-28
0.698
MAT-POS-c9973a83-1
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BRU-LEF-c49414a7-1
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RAL-THA-901e9a10-7
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ALF-EVA-0b412456-3
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ALF-EVA-0b412456-4
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EDJ-MED-7320d5d2-1
0.611
ALP-POS-3b848b35-2
0.611
MAT-POS-3b92565d-3
0.611
RAL-THA-901e9a10-8
0.605
ALF-EVA-0b412456-1
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ALF-EVA-0b412456-2
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ALF-EVA-0b412456-6
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MAR-UCB-ad2ff052-1
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MAR-UCB-ad2ff052-2
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NAU-LAT-0543f7f2-5
0.588
TRY-UNI-2eddb1ff-8
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MAT-POS-3b92565d-9
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NAU-LAT-0543f7f2-2
0.580
ALF-EVA-0b412456-5
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RAL-THA-065e0743-2
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NAU-LAT-0543f7f2-1
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RAL-THA-6b94ceba-4
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RAL-THA-6b94ceba-1
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RAL-THA-6b94ceba-3
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BEN-DND-b89db3f2-3
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DAR-DIA-23e5a6a0-29
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RAL-THA-6b94ceba-2
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ALF-EVA-0b412456-7
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ALF-EVA-0b412456-8
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WIL-MOD-03b86a88-2
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CHO-MSK-6e55470f-5
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MAT-POS-3b92565d-6
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WIL-MOD-03b86a88-3
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MAT-POS-e501d84c-1
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CHO-MSK-6e55470f-8
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CHO-MSK-6e55470f-9
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DAR-DIA-23e5a6a0-25
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RAL-THA-6b94ceba-6
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JAN-GHE-f4ca5a00-15
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ENA-ENA-cf881d10-1
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CHO-MSK-6e55470f-20
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MAR-UCB-ad2ff052-3
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DAR-DIA-1d7f034a-1
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WIL-MOD-03b86a88-5
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RAL-THA-6b94ceba-12
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RAL-THA-6b94ceba-14
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CHO-MSK-6e55470f-2
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RAL-THA-6b94ceba-11
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MAT-POS-500ca5bf-1
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CHO-MSK-6e55470f-1
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CHO-MSK-6e55470f-6
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MAT-POS-173a45da-2
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ALP-POS-3fc1724e-6
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RAL-THA-6b94ceba-7
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RAL-THA-6b94ceba-13
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RAL-THA-6b94ceba-8
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WIL-MOD-03b86a88-6
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MAT-POS-044491d2-1
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ALP-POS-a30bcdb4-1
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CHO-MSK-6e55470f-13
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RAL-THA-6b94ceba-15
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RAL-THA-6b94ceba-5
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NAU-LAT-0543f7f2-6
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RAL-THA-6b94ceba-9
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RAL-THA-6b94ceba-10
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CHO-MSK-6e55470f-7
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CHO-MSK-6e55470f-4
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RAL-THA-6b94ceba-16
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MAT-POS-044491d2-2
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CHO-MSK-6e55470f-10
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MAT-POS-9ff17035-1
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CHO-MSK-6e55470f-18
0.510
EDG-MED-0da5ad92-8
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TRY-UNI-2eddb1ff-2
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NAU-LAT-0543f7f2-7
0.506
MAT-POS-044491d2-3
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CHO-MSK-6e55470f-3
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CHO-MSK-6e55470f-14
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CHO-MSK-6e55470f-16
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ALP-POS-3fc1724e-5
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MAT-POS-044491d2-4
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TRY-UNI-714a760b-6
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CHO-MSK-6e55470f-19
0.500
CHO-MSK-6e55470f-11
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