Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12 |
MW: | 381.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-548-135 |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.212109311760226 |
IC50 (µM) - RapidFire: | 0.157256567141676 |
Order Status | |
Ordered: | 2020-07-25 |
Synthesis Location: | enamine |
Shipped: | 2020-09-09 |
betalactam
b-lactam
MAT-POS-3b92565d-3
1.000
EDJ-MED-7320d5d2-1
1.000
MAT-POS-9ff17035-1
0.845
PET-UNK-cf04cb02-1
0.829
ALF-EVA-0b412456-1
0.739
ALF-EVA-0b412456-4
0.714
ALF-EVA-0b412456-3
0.714
ALF-EVA-0b412456-5
0.707
ALF-EVA-0b412456-2
0.707
ALF-EVA-0b412456-6
0.707
RAL-THA-2d450e86-18
0.695
MAT-POS-3b92565d-2
0.695
ALP-POS-3b848b35-1
0.695
ALF-EVA-0b412456-7
0.695
DAR-DIA-0587064e-3
0.682
ALF-EVA-0b412456-8
0.677
RAL-THA-065e0743-2
0.652
EDJ-MED-50011917-1
0.644
PET-UNK-8c422e11-3
0.644
MIC-UNK-16ccb665-1
0.644
PET-UNK-bb7ffe78-2
0.636
MAT-POS-9ff17035-3
0.633
MAT-POS-fce787c2-2
0.625
DAR-DIA-0587064e-4
0.622
PET-UNK-8c422e11-4
0.622
DAR-DIA-0587064e-2
0.622
EDJ-MED-50011917-2
0.621
TRY-UNI-2eddb1ff-7
0.611
WIL-MOD-03b86a88-1
0.611
MAT-POS-9ff17035-2
0.611
DAR-DIA-0587064e-5
0.609
MAT-POS-3b92565d-6
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ALF-EVA-650655fc-1
0.606
RAL-THA-1d44ff04-1
0.604
ALP-POS-fab80cf2-1
0.604
DAR-DIA-0587064e-7
0.602
DAR-DIA-0587064e-6
0.600
RAL-THA-1d44ff04-12
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DAR-DIA-0587064e-1
0.596
RYA-UNI-8a7f7a0d-1
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MAT-POS-3b92565d-9
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NAU-LAT-0543f7f2-9
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RAL-THA-1d44ff04-2
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PET-UNK-c5865d42-1
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ROB-UNI-611831f5-1
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ALF-EVA-650655fc-2
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RAL-THA-2d450e86-14
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RAL-THA-2d450e86-15
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PET-UNK-bb7ffe78-1
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ALF-EVA-650655fc-3
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DAR-DIA-0587064e-8
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PET-UNK-c5865d42-2
0.567
MAT-POS-281d2ee9-1
0.565
RAL-THA-1d44ff04-4
0.562
MAT-POS-53907a1c-3
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MAT-POS-281d2ee9-3
0.558
RAL-THA-2d450e86-17
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MAT-POS-cc05818f-1
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MIC-UNK-16ccb665-3
0.556
PET-UNK-bb7ffe78-3
0.556
FRA-DIA-b66f7109-2
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RAL-THA-1d44ff04-7
0.553
ALF-EVA-650655fc-6
0.550
RAL-THA-1d44ff04-10
0.549
RAL-THA-1d44ff04-13
0.549
RAL-THA-1d44ff04-6
0.548
RAL-THA-1d44ff04-9
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RAL-THA-1d44ff04-11
0.548
PET-UNK-8c422e11-2
0.548
RAL-THA-2d450e86-30
0.548
MAT-POS-281d2ee9-2
0.547
RAL-THA-1d44ff04-8
0.547
VLA-UNK-b9c208fe-2
0.547
ERI-UCB-ce40166b-5
0.545
RAL-THA-1d44ff04-3
0.543
RAL-THA-1d44ff04-5
0.543
PET-UNK-8c422e11-1
0.543
ALF-EVA-650655fc-8
0.541
FRA-DIA-b66f7109-4
0.539
FRA-DIA-b66f7109-1
0.539
MIC-UNK-16ccb665-2
0.538
PET-UNK-1e7f2e90-1
0.538
PET-UNK-372a2f82-1
0.536
ALF-EVA-650655fc-4
0.536
ADA-UCB-6c2cb422-1
0.535
FRA-DIA-b66f7109-3
0.533
MIC-UNK-08fa0751-2
0.532
ALF-EVA-650655fc-7
0.531
ALP-POS-a30bcdb4-1
0.531
EDJ-MED-50011917-3
0.530
VLA-UNK-9a7dc93f-1
0.522
MIC-UNK-644c43c7-4
0.521
PET-UNK-b87f07d0-2
0.520
RAL-THA-2d450e86-2
0.518
MIC-UNK-644c43c7-3
0.515
RAL-THA-2d450e86-16
0.512
BEN-DND-b89db3f2-3
0.511
PET-UNK-b87f07d0-1
0.505
MAT-POS-23a8a11a-1
0.500
MIC-UNK-644c43c7-1
0.500