Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Nc2ccc(C(F)(F)F)cn2)c1)Nc1cncc2ccccc12 |
MW: | 456.1 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.91 |
cLogP: | 6.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.58664289922401 |
Order Status | |
Ordered: | 2021-02-01 |
Synthesis Location: | enamine |
Shipped: | 2021-03-10 |
high halogen content (>3)
MAT-POS-fce787c2-2
0.614
PET-UNK-8c422e11-1
0.587
LON-WEI-9739a092-1
0.578
LON-WEI-9739a092-10
0.577
MIC-UNK-08fa0751-2
0.574
PET-UNK-8c422e11-2
0.574
RAL-THA-2d450e86-14
0.573
RAL-THA-2d450e86-15
0.573
LON-WEI-9739a092-3
0.573
DAR-DIA-0587064e-1
0.571
MIC-UNK-16ccb665-3
0.565
MIC-UNK-644c43c7-4
0.562
PET-UNK-bb7ffe78-2
0.558
LON-WEI-9739a092-7
0.550
PET-UNK-bb7ffe78-1
0.549
MIC-UNK-16ccb665-1
0.547
PET-UNK-8c422e11-3
0.547
PET-UNK-8c422e11-4
0.546
RAL-THA-2d450e86-32
0.545
RAL-THA-1d44ff04-10
0.543
LON-WEI-9739a092-5
0.541
MIC-UNK-644c43c7-3
0.541
RAL-THA-1d44ff04-4
0.538
RAL-THA-2d450e86-18
0.538
ALP-POS-3b848b35-1
0.538
MAT-POS-3b92565d-2
0.538
MAT-POS-cc05818f-1
0.532
PET-UNK-bb7ffe78-3
0.532
RAL-THA-2d450e86-17
0.532
MIC-UNK-16ccb665-2
0.531
PET-UNK-c5865d42-2
0.529
RAL-THA-1d44ff04-13
0.526
RAL-THA-1d44ff04-11
0.526
MIC-UNK-644c43c7-1
0.525
RAL-THA-2d450e86-30
0.523
VLA-UNK-b9c208fe-2
0.522
RAL-THA-2d450e86-31
0.522
RAL-THA-1d44ff04-3
0.521
RAL-THA-1d44ff04-5
0.521
DAR-DIA-0587064e-3
0.520
MIC-UNK-644c43c7-2
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ALP-POS-fab80cf2-1
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PET-UNK-1e7f2e90-1
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RAL-THA-1d44ff04-7
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DAR-DIA-0587064e-2
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DAR-DIA-0587064e-4
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ADA-UCB-6c2cb422-1
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RAL-THA-1d44ff04-9
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RAL-THA-1d44ff04-6
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MAT-POS-281d2ee9-1
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PET-UNK-b87f07d0-3
0.510
RAL-THA-2d450e86-16
0.506
MAT-POS-281d2ee9-3
0.505
DAR-DIA-0587064e-5
0.505
VLA-UNK-9a7dc93f-1
0.500
PET-UNK-c5865d42-1
0.500
DAR-DIA-0587064e-7
0.500
MAT-POS-9ff17035-3
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RAL-THA-1d44ff04-8
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MAT-POS-281d2ee9-2
0.495
RAL-THA-2d450e86-2
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DAR-DIA-0587064e-8
0.491
NAU-LAT-0543f7f2-9
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EDJ-MED-50011917-1
0.490
RAL-THA-2d450e86-9
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RAL-THA-2d450e86-6
0.489
DAR-DIA-0587064e-6
0.486
PET-UNK-372a2f82-1
0.485
PET-UNK-b87f07d0-2
0.485
PET-UNK-b87f07d0-1
0.485
PET-UNK-cf04cb02-1
0.481
RAL-THA-2d450e86-25
0.479
PET-UNK-dd44aeb6-1
0.479
MAT-POS-23a8a11a-1
0.478
RAL-THA-2d450e86-37
0.478
RAL-THA-1d44ff04-2
0.477
RAL-THA-1d44ff04-1
0.477
PET-UNK-3c72d439-1
0.474
RAL-THA-2d450e86-13
0.473
RAL-THA-2d450e86-35
0.473
LON-WEI-9739a092-4
0.472
MAT-POS-9ff17035-1
0.472
EDJ-MED-7320d5d2-1
0.472
ALP-POS-3b848b35-2
0.472
MAT-POS-3b92565d-3
0.472
VLA-UNK-b9c208fe-1
0.470
DAR-DIA-0cde14eb-48
0.469
LON-WEI-9739a092-9
0.467
MAT-POS-9ff17035-2
0.467
RAL-THA-2d450e86-1
0.466
ROB-UNI-611831f5-1
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RAL-THA-2d450e86-24
0.463
ALP-POS-f13221e1-3
0.463
RAL-THA-2d450e86-27
0.463
PET-UNK-dd44aeb6-2
0.463
RAL-THA-2d450e86-19
0.463
LON-WEI-9739a092-8
0.463
NAU-LAT-2fed8305-9
0.462
RAL-THA-2d450e86-10
0.462
RAL-THA-2d450e86-33
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