Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2cc(Cl)c(Cl)cc21 |
MW: | 372.04 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.205827853694988 |
IC50 (µM) - RapidFire: | 0.309336736426998 |
Order Status | |
Ordered: | 2020-12-22 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
MIC-UNK-b9827f26-4
MIC-UNK-b9827f26-1
MIC-UNK-b9827f26-3
MIC-UNK-b9827f26-5
MIC-UNK-b9827f26-2
MIC-UNK-8758c41d-3
MIC-UNK-8758c41d-1
MIC-UNK-8758c41d-2
MIC-UNK-5b1ead09-5
MIC-UNK-5b1ead09-2
MIC-UNK-5b1ead09-3
MIC-UNK-5b1ead09-1
MIC-UNK-5b1ead09-4
RAL-THA-05e671eb-2
1.000
ALP-POS-869ac754-1
1.000
ALP-UNI-3735e77e-3
0.808
RAL-THA-05e671eb-11
0.808
MAT-POS-a13804f0-3
0.797
ALP-POS-d91e0300-1
0.797
RAL-THA-05e671eb-9
0.797
ALP-POS-fe871b40-9
0.797
RAL-THA-05e671eb-10
0.797
MAT-POS-a13804f0-2
0.797
VLA-UNK-56836b69-4
0.725
MAT-POS-f7918075-1
0.716
RAL-THA-05e671eb-3
0.716
MAT-POS-b3e365b9-1
0.716
ROB-UNI-6ee2df8c-1
0.716
VLA-UCB-1dbca3b4-15
0.716
MAT-POS-b3e365b9-2
0.716
ADA-UCB-dc2b944c-7
0.675
RAL-THA-05e671eb-13
0.675
RAL-THA-05e671eb-4
0.675
MAT-POS-11b63608-1
0.667
ADA-UCB-dc2b944c-5
0.667
RAL-THA-05e671eb-15
0.667
RAL-THA-05e671eb-12
0.667
RAL-THA-05e671eb-5
0.667
RAL-THA-05e671eb-1
0.654
RAL-THA-05e671eb-7
0.651
DAR-DIA-6a508060-3
0.651
DAR-DIA-6a508060-8
0.651
RAL-THA-05e671eb-21
0.646
RAL-THA-05e671eb-14
0.644
RAL-THA-05e671eb-6
0.644
RAL-THA-05e671eb-8
0.644
ALP-POS-869ac754-2
0.639
RAL-THA-05e671eb-16
0.628
ALP-UNI-3735e77e-2
0.628
RAL-THA-05e671eb-25
0.616
PET-UNK-c0891748-8
0.616
ALP-POS-fe871b40-5
0.616
PET-UNK-c0891748-2
0.616
EDJ-MED-12f7f543-1
0.616
RAL-THA-05e671eb-32
0.605
ALP-POS-ce760d3f-1
0.602
EDJ-MED-e4b030d8-8
0.602
RAL-THA-05e671eb-28
0.602
RAL-THA-05e671eb-29
0.602
MAT-POS-96f51285-5
0.596
MAT-POS-ec6d90b7-7
0.596
RAL-THA-05e671eb-17
0.596
RAL-THA-05e671eb-18
0.596
EDJ-MED-611d11e7-6
0.596
ALF-EVA-5b152d2f-1
0.596
RAL-THA-05e671eb-26
0.591
RAL-THA-05e671eb-27
0.591
EDJ-MED-e4b030d8-10
0.591
RAL-THA-05e671eb-22
0.588
EDJ-MED-e4b030d8-5
0.582
DAR-DIA-6a508060-4
0.582
RAL-THA-05e671eb-19
0.582
PET-UNK-03fd2068-2
0.582
MAT-POS-43fe65f4-1
0.582
EDJ-MED-e4b030d8-7
0.582
MAT-POS-f9802937-8
0.580
MIC-UNK-8758c41d-1
0.580
EDJ-MED-e4b030d8-9
0.580
RAL-THA-05e671eb-24
0.580
MAT-POS-78e1d523-6
0.580
ALP-UNI-3735e77e-4
0.580
MAT-POS-78e1d523-5
0.580
MAT-POS-f9802937-9
0.580
PET-UNK-f4e47ebd-6
0.578
ALP-POS-fe871b40-1
0.576
RAL-THA-05e671eb-20
0.576
ALP-POS-c86619f0-1
0.573
BEN-DND-d1eb1f41-18
0.573
EDJ-MED-611d11e7-12
0.571
PET-UNK-f4e47ebd-5
0.571
MAT-POS-a5ef2d74-1
0.571
MAT-POS-ec6d90b7-3
0.571
FRA-DIA-0fa076fe-2
0.570
ALF-EVA-b701bd13-5
0.567
RAL-THA-05e671eb-30
0.565
BEN-DND-d1eb1f41-11
0.565
EDJ-MED-611d11e7-3
0.564
LAU-MED-88a3970a-6
0.564
LAU-MED-88a3970a-5
0.564
MAT-POS-96f51285-4
0.564
MAT-POS-5369c344-1
0.562
DAR-DIA-0587064e-15
0.562
LAU-MED-88a3970a-10
0.562
LAU-MED-88a3970a-9
0.562
LAU-MED-88a3970a-15
0.562
LAU-MED-88a3970a-16
0.562
RAL-THA-05e671eb-23
0.562
ALF-EVA-b701bd13-6
0.560
RAL-THA-05e671eb-31
0.559
DAR-DIA-0587064e-12
0.552
EDJ-MED-e4b030d8-4
0.552
LAU-MED-88a3970a-7
0.552
LAU-MED-88a3970a-8
0.552