Molecular Properties | |
SMILES: | COCCOC(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 404.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 60.45 |
cLogP: | 4.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.871852070124104 |
IC50 (µM) - RapidFire: | 0.97462678507646 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-02-03 |
Aliphatic long chain
Long aliphatic chain
MAT-POS-de59a476-5
0.811
MAT-POS-de59a476-2
0.743
MAT-POS-de59a476-6
0.674
MAT-POS-de59a476-3
0.645
MAT-POS-fce787c2-4
0.615
MAT-POS-fce787c2-3
0.615
MAT-POS-de59a476-1
0.615
MAT-POS-fce787c2-11
0.600
MAT-POS-1f3f1a6f-1
0.595
MAT-POS-fce787c2-5
0.593
MAT-POS-1f3f1a6f-2
0.585
VLA-UNK-9a7dc93f-6
0.583
MAT-POS-1f3f1a6f-3
0.571
MAT-POS-fce787c2-8
0.566
VLA-UNK-9a7dc93f-5
0.565
MAT-POS-1f3f1a6f-4
0.557
MAT-POS-fce787c2-10
0.556
VLA-UNK-9a7dc93f-7
0.548
MAT-POS-e9e99895-11
0.489
MAT-POS-23a8a11a-1
0.476
MAT-POS-e9e99895-1
0.471
MAT-POS-fce787c2-7
0.471
MAK-UNK-ffc90da7-7
0.469
MAT-POS-fce787c2-9
0.466
MAT-POS-fce787c2-6
0.465
EDJ-MED-cf4b0d25-4
0.462
PET-UNK-1320d94d-11
0.462
PET-UNK-1320d94d-12
0.462
RAL-THA-2d450e86-36
0.458
MIC-UNK-d36ab305-1
0.448
PET-UNK-1320d94d-17
0.448
PET-UNK-1320d94d-18
0.448
MAK-UNK-919546f0-2
0.446
MAK-UNK-f481d203-4
0.446
MAK-UNK-f481d203-3
0.446
RAL-THA-2d450e86-22
0.444
MAT-POS-e9e99895-10
0.442
RAL-THA-2d450e86-18
0.440
ALP-POS-3b848b35-1
0.440
MAT-POS-3b92565d-2
0.440
MAT-POS-e9e99895-12
0.439
DAR-DIA-0587064e-4
0.438
JOH-UNI-3fc3434e-6
0.436
JOH-UNI-ee5ed7c8-6
0.436
PET-UNK-1320d94d-16
0.435
PET-UNK-1320d94d-15
0.435
LON-WEI-af038623-3
0.434
PET-UNK-ad758083-3
0.434
BEN-DND-a02b439d-3
0.433
MAT-POS-281d2ee9-1
0.432
RAL-THA-1d44ff04-6
0.432
UNK-UNK-2ede4078-34
0.430
RAL-THA-2d450e86-4
0.430
MAK-UNK-ffc90da7-1
0.430
BEN-DND-a02b439d-13
0.430
MAK-UNK-c749d764-6
0.430
MIC-UNK-d36ab305-4
0.429
ALP-POS-a9ad2217-1
0.427
PET-UNK-1320d94d-19
0.427
PET-UNK-1320d94d-20
0.427
MIC-UNK-5a93dd5f-10
0.427
NIR-THE-590dedc7-1
0.427
NAU-LAT-a5c7d7cb-2
0.427
MIC-UNK-6ab519a7-1
0.427
PET-UNK-dd44aeb6-2
0.427
RAL-THA-2d450e86-20
0.427
RAL-THA-2d450e86-24
0.427
MAT-POS-afd4d4fd-1
0.427
ALP-POS-df536be7-5
0.426
PET-UNK-0d6841fa-7
0.425
DAR-DIA-0587064e-7
0.424
RAL-THA-2d450e86-9
0.422
RAL-THA-2d450e86-8
0.422
RAL-THA-2d450e86-15
0.422
DAR-DIA-0cde14eb-56
0.421
RAL-THA-2d450e86-34
0.420
RAL-THA-2d450e86-39
0.420
VLA-UNK-b9c208fe-2
0.420
MAT-POS-afd4d4fd-3
0.420
ALP-POS-d7944b10-16
0.420
MIC-UNK-c66144cb-2
0.420
PET-UNK-1320d94d-13
0.420
PET-UNK-1320d94d-14
0.420
MAT-POS-fce787c2-1
0.419
MAT-POS-bbbbc21a-1
0.419
MAT-POS-3b92565d-1
0.419
RAL-THA-2d450e86-29
0.419
MIC-UNK-16ccb665-3
0.419
RAL-THA-2d450e86-30
0.419
MAT-POS-fce787c2-2
0.419
JUL-TUD-06b2044f-54
0.418
ALP-POS-f13221e1-2
0.418
MAK-UNK-c749d764-32
0.418
EDJ-MED-4f704dc9-2
0.417
EDJ-MED-cf4b0d25-3
0.417
IVS-FNM-f9a14d04-1
0.417
MIC-UNK-c66144cb-1
0.416
EDJ-MED-cf4b0d25-5
0.415
PET-UNK-3bb57da2-3
0.415
MAT-POS-d8472c4f-4
0.415