Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1CCNc2cc(Cl)c(Cl)cc21 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-01-14 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
MAT-POS-78e1d523-5
1.000
ALP-UNI-3735e77e-4
1.000
MAT-POS-f9802937-8
1.000
MAT-POS-78e1d523-6
1.000
ALF-EVA-b701bd13-5
0.821
ALF-EVA-82cf4849-1
0.797
ALP-POS-fe871b40-10
0.787
ALP-UNI-ba800595-2
0.787
ALF-EVA-82cf4849-2
0.768
ALP-UNI-8d415491-3
0.747
ALP-UNI-8d415491-4
0.728
EDJ-MED-611d11e7-11
0.728
ALP-UNI-8d415491-6
0.723
MAT-POS-ec6d90b7-5
0.723
EDJ-MED-611d11e7-5
0.723
BEN-DND-f06bfa8e-6
0.720
ALF-EVA-82cf4849-7
0.718
BEN-DND-f06bfa8e-1
0.714
ALF-EVA-b701bd13-4
0.713
EDJ-MED-92e193ae-2
0.699
ALP-POS-477dc5b7-2
0.699
MIC-UNK-91acba05-5
0.699
EDJ-MED-92e193ae-1
0.699
ALF-EVA-82cf4849-6
0.686
ALF-EVA-82cf4849-9
0.683
ALF-EVA-b701bd13-6
0.682
ALF-EVA-b701bd13-1
0.678
ALF-EVA-b701bd13-2
0.678
EDJ-MED-611d11e7-2
0.670
EDJ-MED-611d11e7-8
0.670
MAT-POS-ec6d90b7-6
0.670
MAT-POS-96f51285-6
0.670
ALP-UNI-8d415491-5
0.670
ALF-EVA-82cf4849-10
0.670
ALF-EVA-b701bd13-3
0.640
VLA-UNK-8e76d113-2
0.629
ALP-UNI-ba800595-1
0.628
VLA-UNK-56836b69-1
0.621
ALP-POS-fe871b40-16
0.621
MIC-UNK-8758c41d-3
0.621
ALF-EVA-82cf4849-5
0.618
ROB-UNI-611831f5-2
0.614
ALP-POS-fe871b40-6
0.614
VLA-UNK-8e76d113-1
0.609
ALP-UNI-8d415491-1
0.588
ALP-POS-869ac754-1
0.580
RAL-THA-05e671eb-2
0.580
RYA-UNI-6d7114fd-1
0.580
ALP-POS-fe871b40-2
0.576
MIC-UNK-8758c41d-1
0.573
EDJ-MED-ee742daa-2
0.570
FRA-DIA-b66f7109-4
0.557
MIC-UNK-8758c41d-2
0.556
DAR-DIA-0587064e-11
0.550
DAR-DIA-0587064e-18
0.550
RAL-THA-05e671eb-21
0.545
BEN-DND-a02b439d-14
0.544
DAR-DIA-0587064e-13
0.541
DAR-DIA-0587064e-14
0.541
ALP-POS-869ac754-2
0.539
DAR-DIA-0587064e-23
0.539
MAR-UCB-6ab2ec87-1
0.533
DAR-DIA-06c53477-1
0.533
DAR-DIA-06c53477-3
0.533
DAR-DIA-06c53477-2
0.533
ALP-UNI-8d415491-2
0.533
DAR-DIA-0587064e-16
0.530
FRA-DIA-0fa076fe-2
0.528
ALP-POS-ce760d3f-1
0.527
PET-UNK-c0891748-2
0.522
PET-UNK-c0891748-8
0.522
ALP-POS-fe871b40-5
0.522
RAL-THA-05e671eb-25
0.522
EDJ-MED-12f7f543-1
0.522
MAT-POS-a13804f0-2
0.521
MAT-POS-a13804f0-3
0.521
RAL-THA-05e671eb-10
0.521
RAL-THA-05e671eb-9
0.521
ALP-POS-fe871b40-9
0.521
ALP-POS-d91e0300-1
0.521
DAR-DIA-0587064e-27
0.519
DAR-DIA-0587064e-25
0.519
ALP-UNI-3735e77e-2
0.516
RAL-THA-05e671eb-16
0.516
ALP-POS-fe871b40-15
0.516
FRA-DIA-0fa076fe-1
0.511
FRA-DIA-c7e803f4-1
0.511
BEN-DND-a02b439d-15
0.511
BEN-DND-34fc7f90-8
0.511
RAL-THA-05e671eb-11
0.511
VLA-UNK-9a7dc93f-3
0.511
ALP-UNI-3735e77e-3
0.511
ROB-UNI-322e8f70-2
0.511
LUO-POS-868e8996-14
0.505
LUO-POS-868e8996-13
0.505
RAL-THA-05e671eb-3
0.505
ALP-POS-477dc5b7-1
0.505
VLA-UCB-1dbca3b4-15
0.505
MAT-POS-b3e365b9-2
0.505
MIC-UNK-91acba05-4
0.505