Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(CC2CC(=O)N2)c1)Nc1cncc2ccccc12 |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.56705471277886 |
IC50 (µM) - RapidFire: | 4.42081986336331 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-17 |
betalactam
b-lactam
PET-UNK-c5865d42-1
0.821
PET-UNK-bb7ffe78-1
0.662
MAT-POS-fce787c2-2
0.658
ALP-POS-fab80cf2-1
0.648
ALP-POS-3b848b35-2
0.644
MAT-POS-3b92565d-3
0.644
EDJ-MED-7320d5d2-1
0.644
PET-UNK-bb7ffe78-3
0.639
RAL-THA-1d44ff04-9
0.628
RAL-THA-1d44ff04-3
0.624
EDJ-MED-50011917-3
0.620
PET-UNK-1e7f2e90-1
0.616
MIC-UNK-644c43c7-4
0.614
RAL-THA-2d450e86-15
0.610
RAL-THA-2d450e86-14
0.610
RAL-THA-1d44ff04-6
0.609
RAL-THA-2d450e86-18
0.607
ALP-POS-3b848b35-1
0.607
MAT-POS-3b92565d-2
0.607
MAT-POS-9ff17035-1
0.606
PET-UNK-cf04cb02-1
0.604
RAL-THA-2d450e86-17
0.600
MIC-UNK-16ccb665-3
0.600
DAR-DIA-0587064e-3
0.600
MAT-POS-cc05818f-1
0.600
PET-UNK-372a2f82-1
0.593
RAL-THA-1d44ff04-10
0.593
MIC-UNK-644c43c7-3
0.589
RAL-THA-1d44ff04-4
0.588
MAT-POS-281d2ee9-3
0.582
PET-UNK-b87f07d0-2
0.576
PET-UNK-b87f07d0-1
0.576
RAL-THA-2d450e86-30
0.575
RAL-THA-1d44ff04-13
0.575
PET-UNK-c5865d42-2
0.574
MAT-POS-281d2ee9-1
0.573
MIC-UNK-644c43c7-1
0.570
RAL-THA-1d44ff04-5
0.568
PET-UNK-8c422e11-1
0.568
MIC-UNK-644c43c7-2
0.564
MIC-UNK-16ccb665-2
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MIC-UNK-16ccb665-1
0.562
PET-UNK-8c422e11-3
0.562
ADA-UCB-6c2cb422-1
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RAL-THA-1d44ff04-7
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PET-UNK-8c422e11-2
0.556
MIC-UNK-08fa0751-2
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RAL-THA-1d44ff04-11
0.556
PET-UNK-bb7ffe78-2
0.556
MAT-POS-281d2ee9-2
0.554
RAL-THA-1d44ff04-8
0.554
VLA-UNK-b9c208fe-2
0.554
PET-UNK-b87f07d0-3
0.552
EDJ-MED-50011917-2
0.546
PET-UNK-b87f07d0-4
0.545
DAR-DIA-6a508060-5
0.545
DAR-DIA-0587064e-2
0.543
PET-UNK-8c422e11-4
0.543
DAR-DIA-0587064e-4
0.543
RAL-THA-2d450e86-2
0.543
NAU-LAT-2fed8305-9
0.542
DAR-DIA-0587064e-6
0.542
MAT-POS-9ff17035-3
0.538
RAL-THA-2d450e86-16
0.537
MAT-POS-9ff17035-2
0.536
DAR-DIA-0587064e-5
0.532
NAU-LAT-2fed8305-5
0.529
LON-WEI-9739a092-6
0.529
VLA-UNK-9a7dc93f-1
0.529
DAR-DIA-0587064e-7
0.526
RAL-THA-1d44ff04-12
0.525
MAT-POS-23a8a11a-1
0.524
DAR-DIA-0587064e-1
0.521
LON-WEI-9739a092-9
0.520
RAL-THA-2d450e86-9
0.517
RAL-THA-2d450e86-6
0.517
NAU-LAT-0543f7f2-9
0.515
LON-WEI-9739a092-7
0.515
RAL-THA-1d44ff04-2
0.515
RAL-THA-1d44ff04-1
0.515
ROB-UNI-611831f5-1
0.515
RAL-THA-2d450e86-1
0.512
VLA-UNK-b9c208fe-1
0.511
LON-WEI-9739a092-4
0.510
RAL-THA-2d450e86-7
0.506
RAL-THA-2d450e86-25
0.506
PET-UNK-dd44aeb6-1
0.506
VLA-UNK-9a7dc93f-2
0.505
RAL-THA-2d450e86-35
0.500
DAR-DIA-0587064e-8
0.500
RAL-THA-2d450e86-8
0.500
RAL-THA-2d450e86-13
0.500
LON-WEI-9739a092-8
0.500
LON-WEI-9739a092-3
0.495
RAL-THA-2d450e86-3
0.494
LON-WEI-9739a092-2
0.490
NAU-LAT-30527ac5-1
0.489
RAL-THA-2d450e86-24
0.489
PET-UNK-dd44aeb6-2
0.489
RAL-THA-2d450e86-27
0.489