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
WIL-MOD-03b86a88-1
1.000
DAR-DIA-23e5a6a0-30
0.782
DAR-DIA-23e5a6a0-24
0.762
RAL-THA-901e9a10-1
0.744
DAR-DIA-23e5a6a0-22
0.735
RAL-THA-901e9a10-6
0.734
RAL-THA-901e9a10-5
0.734
DAR-DIA-23e5a6a0-26
0.732
RAL-THA-901e9a10-2
0.725
WIL-MOD-03b86a88-4
0.700
TRY-UNI-2eddb1ff-6
0.699
RAL-THA-901e9a10-3
0.699
RAL-THA-901e9a10-4
0.699
DAR-DIA-23e5a6a0-28
0.698
MAT-POS-c9973a83-1
0.680
BRU-LEF-c49414a7-1
0.654
RAL-THA-901e9a10-7
0.654
ALF-EVA-0b412456-3
0.620
ALF-EVA-0b412456-4
0.620
ALP-POS-3b848b35-2
0.611
MAT-POS-3b92565d-3
0.611
EDJ-MED-7320d5d2-1
0.611
RAL-THA-901e9a10-8
0.605
ALF-EVA-0b412456-1
0.604
ALF-EVA-0b412456-2
0.596
ALF-EVA-0b412456-6
0.596
MAR-UCB-ad2ff052-1
0.591
MAR-UCB-ad2ff052-2
0.589
NAU-LAT-0543f7f2-5
0.588
TRY-UNI-2eddb1ff-8
0.586
MAT-POS-3b92565d-9
0.582
NAU-LAT-0543f7f2-2
0.580
ALF-EVA-0b412456-5
0.579
RAL-THA-065e0743-2
0.576
NAU-LAT-0543f7f2-1
0.575
RAL-THA-6b94ceba-1
0.573
RAL-THA-6b94ceba-3
0.573
RAL-THA-6b94ceba-4
0.573
BEN-DND-b89db3f2-3
0.570
DAR-DIA-23e5a6a0-29
0.568
RAL-THA-6b94ceba-2
0.567
ALF-EVA-0b412456-8
0.556
ALF-EVA-0b412456-7
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DAR-DIA-23e5a6a0-23
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WIL-MOD-03b86a88-2
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CHO-MSK-6e55470f-5
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MAT-POS-3b92565d-6
0.548
WIL-MOD-03b86a88-3
0.548
MAT-POS-e501d84c-1
0.547
CHO-MSK-6e55470f-8
0.542
CHO-MSK-6e55470f-9
0.542
DAR-DIA-23e5a6a0-25
0.538
RAL-THA-6b94ceba-6
0.537
JAN-GHE-f4ca5a00-15
0.536
ENA-ENA-cf881d10-1
0.534
DAR-DIA-23e5a6a0-21
0.532
CHO-MSK-6e55470f-20
0.531
DAR-DIA-1d7f034a-1
0.530
MAR-UCB-ad2ff052-3
0.530
RAL-THA-6b94ceba-12
0.529
CHO-MSK-6e55470f-2
0.529
WIL-MOD-03b86a88-5
0.529
RAL-THA-6b94ceba-14
0.529
RAL-THA-6b94ceba-11
0.529
CHO-MSK-6e55470f-1
0.525
CHO-MSK-6e55470f-6
0.525
MAT-POS-173a45da-2
0.525
MAT-POS-500ca5bf-1
0.525
ALP-POS-3fc1724e-6
0.525
RAL-THA-6b94ceba-13
0.524
RAL-THA-6b94ceba-7
0.524
WIL-MOD-03b86a88-6
0.523
RAL-THA-6b94ceba-8
0.523
MAT-POS-044491d2-1
0.522
ALP-POS-a30bcdb4-1
0.521
CHO-MSK-6e55470f-13
0.521
RAL-THA-6b94ceba-5
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RAL-THA-6b94ceba-15
0.518
NAU-LAT-0543f7f2-6
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RAL-THA-6b94ceba-9
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RAL-THA-6b94ceba-10
0.517
CHO-MSK-6e55470f-7
0.515
CHO-MSK-6e55470f-4
0.514
RAL-THA-6b94ceba-16
0.512
MAT-POS-044491d2-2
0.511
CHO-MSK-6e55470f-10
0.510
MAT-POS-9ff17035-1
0.510
CHO-MSK-6e55470f-18
0.510
TRY-UNI-2eddb1ff-2
0.506
EDG-MED-0da5ad92-8
0.506
NAU-LAT-0543f7f2-7
0.506
MAT-POS-044491d2-3
0.505
CHO-MSK-6e55470f-3
0.505
CHO-MSK-6e55470f-14
0.505
CHO-MSK-6e55470f-16
0.505
ALP-POS-3fc1724e-5
0.505
TRY-UNI-714a760b-6
0.500
MAT-POS-044491d2-4
0.500
CHO-MSK-6e55470f-19
0.500
CHO-MSK-6e55470f-11
0.495