Molecular Properties | |
SMILES: | CC(=O)NC(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 387.05 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 71.09 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.05456669711331 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-01-28 |
Dipeptide
MAT-POS-fce787c2-5
0.761
EDJ-MED-cf4b0d25-4
0.720
MAT-POS-1f3f1a6f-4
0.662
MAT-POS-fce787c2-10
0.659
MAT-POS-fce787c2-3
0.649
PET-UNK-1320d94d-11
0.644
PET-UNK-1320d94d-17
0.644
PET-UNK-1320d94d-12
0.644
PET-UNK-1320d94d-18
0.644
MAT-POS-1f3f1a6f-2
0.636
MAT-POS-fce787c2-11
0.632
MAT-POS-1f3f1a6f-1
0.627
MAT-POS-de59a476-1
0.627
MAT-POS-fce787c2-4
0.627
MAT-POS-de59a476-2
0.623
MAT-POS-fce787c2-8
0.615
PET-UNK-1320d94d-15
0.606
PET-UNK-1320d94d-16
0.606
PET-UNK-1320d94d-13
0.598
PET-UNK-1320d94d-14
0.598
PET-UNK-1320d94d-19
0.594
PET-UNK-1320d94d-20
0.594
ALP-POS-a9ad2217-1
0.594
MAT-POS-de59a476-4
0.571
MAT-POS-de59a476-5
0.566
VLA-UNK-9a7dc93f-6
0.518
EDJ-MED-cf4b0d25-3
0.511
EDJ-MED-ee07cf00-4
0.511
MAT-POS-de59a476-6
0.505
MIC-UNK-d36ab305-1
0.500
MAT-POS-23a8a11a-1
0.500
VLA-UNK-9a7dc93f-5
0.500
PET-UNK-1320d94d-8
0.490
PET-UNK-1320d94d-7
0.490
EDJ-MED-cf4b0d25-5
0.490
MAT-POS-fce787c2-6
0.488
VLA-UNK-9a7dc93f-7
0.482
EDJ-MED-ee07cf00-1
0.480
EDJ-MED-ee07cf00-12
0.480
PET-UNK-1320d94d-1
0.480
PET-UNK-1320d94d-2
0.480
MAT-POS-fce787c2-7
0.476
MAT-POS-e9e99895-1
0.476
EDJ-MED-ee07cf00-10
0.471
MAT-POS-fce787c2-9
0.471
MIC-UNK-5a93dd5f-4
0.469
MAK-UNK-f481d203-4
0.468
MAK-UNK-f481d203-3
0.468
MAK-UNK-919546f0-2
0.468
EDJ-MED-ee07cf00-16
0.466
RAL-THA-2d450e86-36
0.463
NAU-LAT-a5c7d7cb-2
0.462
NIR-THE-590dedc7-1
0.462
MIC-UNK-6ab519a7-1
0.462
MIC-UNK-5a93dd5f-10
0.462
EDJ-MED-ee07cf00-15
0.462
MAT-POS-de59a476-3
0.461
PET-UNK-1320d94d-3
0.458
PET-UNK-1320d94d-4
0.458
EDJ-MED-ee07cf00-7
0.457
EDJ-MED-ee07cf00-13
0.457
MAT-POS-a13804f0-1
0.457
EDJ-MED-cf4b0d25-1
0.456
DAR-DIA-0cde14eb-56
0.456
JOH-UNI-ee5ed7c8-6
0.456
JOH-UNI-3fc3434e-6
0.456
PET-UNK-1320d94d-9
0.453
PET-UNK-1320d94d-10
0.453
EDJ-MED-ee07cf00-5
0.452
PET-UNK-1320d94d-5
0.452
PET-UNK-1320d94d-6
0.452
DAR-DIA-0cde14eb-55
0.449
EDJ-MED-ee07cf00-18
0.448
MIC-UNK-d36ab305-4
0.447
MAT-POS-e9e99895-10
0.446
EDJ-MED-ee07cf00-9
0.443
EDJ-MED-ee07cf00-11
0.443
MAT-POS-8293a91a-2
0.443
MAT-POS-8293a91a-6
0.443
MAT-POS-8293a91a-7
0.443
PET-UNK-ac320b15-5
0.443
PET-UNK-ac320b15-8
0.443
MAT-POS-7174c657-5
0.443
MAT-POS-7174c657-6
0.443
MAT-POS-a13804f0-4
0.443
PET-UNK-ac320b15-6
0.443
PET-UNK-ac320b15-7
0.443
PET-UNK-ac320b15-9
0.443
PET-UNK-ac320b15-10
0.443
PET-UNK-b87f07d0-2
0.442
MAK-UNK-ffc90da7-7
0.442
RAL-THA-2d450e86-8
0.442
MAT-POS-afd4d4fd-3
0.440
EDJ-MED-ee07cf00-14
0.440
EDJ-MED-ee07cf00-6
0.440
MIC-UNK-5a93dd5f-5
0.440
DAR-DIA-0cde14eb-57
0.440
DAR-DIA-0cde14eb-58
0.440
EDJ-MED-ee07cf00-17
0.439
LON-WEI-af038623-3
0.438