Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1COc2c(Cl)cccc21 |
MW: | 324.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.75749561932861 |
IC50 (µM) - RapidFire: | 5.35933483776231 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-25 |
FRA-DIA-0fa076fe-1
FRA-DIA-c7e803f4-1
1.000
RAL-THA-05e671eb-21
0.720
FRA-DIA-0fa076fe-2
0.697
ALP-UNI-c3ef0aba-1
0.646
MAR-UCB-6ab2ec87-4
0.637
MAT-POS-f7918075-2
0.593
MAT-POS-bbbbc21a-2
0.593
EDJ-MED-12c115cc-1
0.593
EDJ-MED-12c115cc-2
0.593
FRA-DIA-b66f7109-2
0.582
RAL-THA-05e671eb-32
0.571
ALP-POS-869ac754-2
0.566
RAL-THA-05e671eb-22
0.554
ALF-EVA-ced740bd-4
0.554
RAL-THA-05e671eb-1
0.542
ALP-UNI-3735e77e-2
0.540
RAL-THA-05e671eb-16
0.540
ALP-UNI-4b8a177c-1
0.540
FRA-DIA-0fa076fe-4
0.536
ALP-POS-869ac754-1
0.535
RAL-THA-05e671eb-2
0.535
RYA-UNI-6d7114fd-1
0.535
RAL-THA-05e671eb-23
0.529
RAL-THA-05e671eb-3
0.529
ALP-POS-fe871b40-5
0.529
BEN-DND-f2e727cd-4
0.529
RAL-THA-05e671eb-24
0.529
PET-UNK-c0891748-8
0.529
PET-UNK-c0891748-2
0.529
ALP-UNI-c3ef0aba-2
0.529
EDJ-MED-12f7f543-1
0.529
RAL-THA-05e671eb-25
0.529
RAL-THA-05e671eb-27
0.523
EDJ-MED-e4b030d8-10
0.523
VLA-UNK-9a7dc93f-3
0.517
RAL-THA-05e671eb-28
0.517
RAL-THA-05e671eb-29
0.517
EDJ-MED-e4b030d8-8
0.517
ALP-UNI-3735e77e-3
0.517
RAL-THA-05e671eb-11
0.517
ALP-POS-ce760d3f-1
0.517
ALF-EVA-b701bd13-4
0.512
MAT-POS-b3e365b9-1
0.511
VLA-UCB-1dbca3b4-15
0.511
MAT-POS-f7918075-1
0.511
MAT-POS-78e1d523-5
0.511
ALP-UNI-3735e77e-4
0.511
MAT-POS-78e1d523-6
0.511
MIC-UNK-8758c41d-2
0.511
MAT-POS-b3e365b9-2
0.511
MAT-POS-f9802937-9
0.511
MAT-POS-f9802937-8
0.511
MAT-POS-a13804f0-3
0.511
MAT-POS-a13804f0-2
0.511
RAL-THA-05e671eb-9
0.511
ALP-POS-fe871b40-9
0.511
RAL-THA-05e671eb-10
0.511
ALP-POS-d91e0300-1
0.511
BEN-BAS-c2bc0d80-1
0.506
MAT-POS-f39f51fd-1
0.506
DAR-DIA-9f765dc6-5
0.506
DAR-DIA-9f765dc6-6
0.506
DAR-DIA-9f765dc6-2
0.506
ALF-EVA-b701bd13-5
0.500
BEN-DND-a02b439d-14
0.500
BEN-DND-11faade0-1
0.500
RAL-THA-05e671eb-19
0.500
RAL-THA-05e671eb-30
0.500
MAT-POS-2e8b2191-2
0.500
MAT-POS-2e8b2191-3
0.500
PET-UNK-c0891748-4
0.500
DAR-DIA-6a508060-11
0.500
EDJ-MED-e4b030d8-5
0.500
EDJ-MED-e4b030d8-7
0.500
MAT-POS-43fe65f4-1
0.500
DAR-DIA-6a508060-4
0.500
RAL-THA-05e671eb-35
0.500
ADA-UCB-dc2b944c-16
0.500
PET-UNK-c0891748-10
0.500
ALF-EVA-82cf4849-1
0.500
RAL-THA-05e671eb-31
0.495
ALF-EVA-b701bd13-6
0.495
ALP-POS-fe871b40-10
0.495
RAL-THA-05e671eb-18
0.495
RAL-THA-05e671eb-17
0.495
ALP-UNI-ba800595-2
0.495
ALF-EVA-5b152d2f-1
0.495
RAL-THA-05e671eb-34
0.494
EDJ-MED-e4b030d8-9
0.494
RAL-THA-05e671eb-13
0.494
ALP-UNI-ba800595-1
0.494
MIC-UNK-8758c41d-1
0.494
RAL-THA-05e671eb-33
0.494
EDJ-MED-e4b030d8-4
0.490
ALP-POS-fe871b40-16
0.489
EDJ-MED-92e193ae-2
0.489
MAT-POS-865c3497-2
0.489
MIC-UNK-8758c41d-3
0.489
MAT-POS-865c3497-1
0.489
EDJ-MED-a6bd50ad-1
0.489