Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1COCc2c(Cl)cccc21 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.02369073951027 |
Order Status | |
Shipped: | synthesis in progress |
FRA-DIA-0fa076fe-1
0.646
FRA-DIA-c7e803f4-1
0.646
ALP-UNI-c3ef0aba-2
0.593
BEN-DND-f2e727cd-4
0.593
RAL-THA-05e671eb-21
0.583
FRA-DIA-0fa076fe-2
0.547
MAR-UCB-6ab2ec87-4
0.534
MAT-POS-bbbbc21a-2
0.529
MAT-POS-f7918075-2
0.529
EDJ-MED-12c115cc-1
0.529
EDJ-MED-12c115cc-2
0.529
ALP-POS-869ac754-2
0.523
RYA-UNI-6d7114fd-1
0.511
RAL-THA-05e671eb-2
0.511
RAL-THA-05e671eb-32
0.511
ALP-POS-869ac754-1
0.511
ALF-EVA-b701bd13-4
0.506
MIC-UNK-8758c41d-1
0.505
ALP-UNI-3735e77e-3
0.495
RAL-THA-05e671eb-29
0.495
PET-UNK-c0891748-4
0.495
RAL-THA-05e671eb-11
0.495
PET-UNK-c0891748-10
0.495
EDJ-MED-e4b030d8-8
0.495
BEN-DND-a02b439d-14
0.495
RAL-THA-05e671eb-22
0.494
ALF-EVA-ced740bd-4
0.494
MAT-POS-b3e365b9-2
0.489
MAT-POS-b3e365b9-1
0.489
VLA-UCB-1dbca3b4-15
0.489
MAT-POS-f7918075-1
0.489
RAL-THA-05e671eb-3
0.489
RAL-THA-05e671eb-24
0.489
MIC-UNK-8758c41d-2
0.489
EDJ-MED-e4b030d8-4
0.485
ROB-UNI-322e8f70-3
0.484
MAT-POS-22e8b45a-1
0.484
MIC-UNK-91acba05-1
0.484
DAR-DIA-9f765dc6-6
0.484
ALP-UNI-3735e77e-2
0.484
DAR-DIA-9f765dc6-5
0.484
MAT-POS-865c3497-1
0.484
RAL-THA-05e671eb-27
0.484
VLA-UNK-56836b69-1
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MIC-UNK-8758c41d-3
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DAR-DIA-9f765dc6-2
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EDJ-MED-e4b030d8-10
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RAL-THA-05e671eb-26
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ALP-POS-fe871b40-16
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RAL-THA-05e671eb-16
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MAT-POS-865c3497-2
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BEN-BAS-c2bc0d80-1
0.484
MAR-UCB-6ab2ec87-1
0.484
RAL-THA-05e671eb-1
0.483
EDJ-MED-e4b030d8-5
0.479
EDJ-MED-e4b030d8-7
0.479
DAR-DIA-6a508060-4
0.479
MAT-POS-43fe65f4-1
0.479
RAL-THA-05e671eb-19
0.479
ADA-UCB-dc2b944c-16
0.479
ALP-POS-ce760d3f-1
0.479
MAT-POS-2e8b2191-2
0.479
RAL-THA-05e671eb-28
0.479
VLA-UNK-9a7dc93f-3
0.479
BEN-DND-11faade0-1
0.478
DAR-DIA-6a508060-11
0.476
MAT-POS-a13804f0-2
0.474
ALP-POS-d91e0300-1
0.474
RAL-THA-05e671eb-10
0.474
ALF-EVA-5b152d2f-1
0.474
RAL-THA-05e671eb-9
0.474
ALP-POS-fe871b40-9
0.474
MAT-POS-a13804f0-3
0.474
MAT-POS-66a736cf-1
0.473
LUO-POS-868e8996-13
0.473
LUO-POS-868e8996-14
0.473
MIC-UNK-91acba05-3
0.473
BEN-DND-f2e727cd-5
0.473
MAT-POS-78e1d523-5
0.473
MAR-UCB-6ab2ec87-6
0.473
MAT-POS-f9802937-9
0.473
EDJ-MED-12f7f543-1
0.473
RAL-THA-05e671eb-25
0.473
PET-UNK-c0891748-8
0.473
ALP-UNI-ba800595-1
0.473
MAT-POS-3ccb8ef6-2
0.473
RAL-THA-05e671eb-23
0.473
MAT-POS-f9802937-8
0.473
ALP-UNI-3735e77e-4
0.473
ALP-POS-fe871b40-5
0.473
PET-UNK-c0891748-2
0.473
MAT-POS-78e1d523-6
0.473
RAL-THA-05e671eb-13
0.473
MAT-POS-d8472c4f-5
0.473
EDJ-MED-e4b030d8-9
0.473
MAT-POS-3ccb8ef6-1
0.473
ALP-POS-fe871b40-15
0.469
ALF-EVA-b701bd13-3
0.468
ALP-UNI-4b8a177c-1
0.468
MAT-POS-f39f51fd-1
0.468