Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OC2CCC(=O)N2)c1)Nc1cncc2ccccc12 |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 85.8740204655224 |
Order Status | |
Ordered: | 2020-08-05 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
ALP-POS-3b848b35-2
0.845
EDJ-MED-7320d5d2-1
0.845
MAT-POS-3b92565d-3
0.845
PET-UNK-cf04cb02-1
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MAT-POS-3b92565d-2
0.690
RAL-THA-2d450e86-18
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ALP-POS-3b848b35-1
0.690
DAR-DIA-0587064e-3
0.659
MIC-UNK-16ccb665-1
0.640
PET-UNK-8c422e11-3
0.640
PET-UNK-bb7ffe78-2
0.633
ALF-EVA-0b412456-1
0.625
DAR-DIA-0587064e-2
0.620
DAR-DIA-0587064e-4
0.620
PET-UNK-8c422e11-4
0.620
ALF-EVA-0b412456-2
0.616
DAR-DIA-0587064e-1
0.611
ALF-EVA-0b412456-7
0.608
EDJ-MED-50011917-1
0.606
DAR-DIA-0587064e-5
0.606
ALF-EVA-0b412456-4
0.606
ALF-EVA-0b412456-3
0.606
MAT-POS-fce787c2-2
0.602
ALF-EVA-0b412456-6
0.600
ALF-EVA-0b412456-5
0.600
DAR-DIA-0587064e-7
0.600
DAR-DIA-0587064e-6
0.598
MAT-POS-9ff17035-3
0.596
MAT-POS-9ff17035-2
0.592
NAU-LAT-0543f7f2-9
0.588
DAR-DIA-0587064e-8
0.586
RAL-THA-1d44ff04-2
0.586
RAL-THA-1d44ff04-1
0.586
ALP-POS-fab80cf2-1
0.586
RAL-THA-1d44ff04-12
0.580
RAL-THA-2d450e86-14
0.580
ALF-EVA-0b412456-8
0.577
ROB-UNI-611831f5-1
0.569
PET-UNK-c5865d42-1
0.568
PET-UNK-c5865d42-2
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RAL-THA-2d450e86-15
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ERI-UCB-ce40166b-6
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PET-UNK-bb7ffe78-1
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EDJ-MED-50011917-2
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MIC-UNK-16ccb665-3
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RAL-THA-065e0743-2
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RAL-THA-1d44ff04-13
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RAL-THA-1d44ff04-6
0.547
MAT-POS-281d2ee9-1
0.547
PET-UNK-8c422e11-2
0.547
VLA-UNK-b9c208fe-2
0.545
RAL-THA-1d44ff04-4
0.543
PET-UNK-8c422e11-1
0.543
MAT-POS-281d2ee9-3
0.541
RAL-THA-2d450e86-17
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MAT-POS-cc05818f-1
0.538
PET-UNK-bb7ffe78-3
0.538
MIC-UNK-16ccb665-2
0.537
MIC-UNK-644c43c7-4
0.536
RAL-THA-1d44ff04-10
0.532
RAL-THA-1d44ff04-11
0.531
MIC-UNK-08fa0751-2
0.531
RAL-THA-1d44ff04-8
0.531
MAT-POS-281d2ee9-2
0.531
RAL-THA-2d450e86-30
0.529
RAL-THA-1d44ff04-3
0.526
RAL-THA-1d44ff04-5
0.526
MAT-POS-3b92565d-6
0.525
VLA-UNK-9a7dc93f-1
0.522
PET-UNK-1e7f2e90-1
0.521
RAL-THA-1d44ff04-7
0.520
ADA-UCB-6c2cb422-1
0.517
RAL-THA-1d44ff04-9
0.515
MIC-UNK-644c43c7-3
0.515
EDJ-MED-50011917-3
0.515
ALF-EVA-650655fc-1
0.514
RAL-THA-2d450e86-16
0.511
TRY-UNI-2eddb1ff-7
0.510
WIL-MOD-03b86a88-1
0.510
PET-UNK-b87f07d0-2
0.505
PET-UNK-372a2f82-1
0.505
LON-WEI-9739a092-3
0.505
RAL-THA-2d450e86-2
0.500
RYA-UNI-8a7f7a0d-1
0.500
MIC-UNK-644c43c7-1
0.500
ALF-EVA-650655fc-2
0.495
MIC-UNK-644c43c7-2
0.495
LON-WEI-9739a092-7
0.495
MAT-POS-3b92565d-9
0.495
RAL-THA-2d450e86-6
0.495
RAL-THA-2d450e86-9
0.495
RAL-THA-2d450e86-11
0.495
RAL-THA-2d450e86-35
0.494
LON-WEI-9739a092-4
0.491
PET-UNK-b87f07d0-1
0.490
VLA-UNK-b9c208fe-1
0.490
RAL-THA-2d450e86-4
0.489
ALF-EVA-650655fc-3
0.487
PET-UNK-b87f07d0-3
0.486
LON-WEI-9739a092-9
0.486