Molecular Properties | |
SMILES: | O=C(Cn1cnc(C(F)(F)F)n1)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 488.1 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.8 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 13.6449983563873 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
high halogen content (>3)
Dipeptide
EDJ-MED-cf4b0d25-4
0.624
EDJ-MED-ee07cf00-17
0.615
EDJ-MED-ee07cf00-18
0.611
EDJ-MED-ee07cf00-9
0.606
EDJ-MED-ee07cf00-12
0.604
EDJ-MED-ee07cf00-1
0.602
EDJ-MED-ee07cf00-16
0.602
EDJ-MED-cf4b0d25-5
0.600
EDJ-MED-ee07cf00-14
0.598
EDJ-MED-ee07cf00-15
0.596
EDJ-MED-cf4b0d25-1
0.593
EDJ-MED-ee07cf00-7
0.591
EDJ-MED-ee07cf00-3
0.583
EDJ-MED-ee07cf00-8
0.570
EDJ-MED-ee07cf00-4
0.562
EDJ-MED-ee07cf00-5
0.559
EDJ-MED-cf4b0d25-3
0.547
PET-UNK-1320d94d-1
0.532
PET-UNK-1320d94d-2
0.532
EDJ-MED-ee07cf00-2
0.529
PET-UNK-1320d94d-7
0.527
PET-UNK-1320d94d-8
0.527
MAT-POS-a13804f0-1
0.522
EDJ-MED-ee07cf00-13
0.522
PET-UNK-1320d94d-6
0.518
PET-UNK-1320d94d-5
0.518
MAT-POS-7174c657-5
0.509
MAT-POS-7174c657-6
0.509
EDJ-MED-ee07cf00-11
0.509
PET-UNK-ac320b15-8
0.509
PET-UNK-ac320b15-9
0.509
MAT-POS-a13804f0-4
0.509
MAT-POS-8293a91a-7
0.509
PET-UNK-ac320b15-6
0.509
PET-UNK-ac320b15-7
0.509
PET-UNK-ac320b15-10
0.509
MAT-POS-8293a91a-6
0.509
PET-UNK-ac320b15-5
0.509
MAT-POS-8293a91a-2
0.509
PET-UNK-1320d94d-9
0.504
PET-UNK-1320d94d-10
0.504
EDJ-MED-ee07cf00-6
0.504
PET-UNK-1320d94d-3
0.496
PET-UNK-1320d94d-4
0.496
ALP-UNI-dbbfd3db-7
0.492
MAT-POS-d8472c4f-2
0.491
VLA-UNK-9a7dc93f-7
0.480
JOH-UNI-ee5ed7c8-6
0.471
JOH-UNI-3fc3434e-6
0.471
EDJ-MED-cf4b0d25-2
0.471
MAT-POS-1f3f1a6f-3
0.471
MIC-UNK-5a93dd5f-8
0.468
NAU-LAT-a5c7d7cb-2
0.462
MIC-UNK-6ab519a7-1
0.462
MIC-UNK-5a93dd5f-10
0.462
NIR-THE-590dedc7-1
0.462
MAK-UNK-ffc90da7-7
0.459
MIC-UNK-5a93dd5f-1
0.459
MIC-UNK-5a93dd5f-2
0.459
MIC-UNK-5a93dd5f-6
0.455
MIC-UNK-c66144cb-3
0.455
ALP-POS-3b848b35-4
0.455
MIC-UNK-5a93dd5f-4
0.455
MIC-UNK-5a93dd5f-9
0.455
MIC-UNK-c66144cb-2
0.455
MAK-UNK-c749d764-6
0.450
MAK-UNK-ffc90da7-1
0.450
MIC-UNK-c66144cb-1
0.450
ADA-UCB-6c2cb422-1
0.449
MAT-POS-fce787c2-5
0.441
MIC-UNK-d36ab305-1
0.440
MIC-UNK-5a93dd5f-7
0.440
MIC-UNK-d36ab305-4
0.436
MAT-POS-1f3f1a6f-4
0.435
MIC-UNK-5a93dd5f-11
0.435
MAT-POS-de59a476-5
0.434
MIC-UNK-5a93dd5f-5
0.431
MIC-UNK-5a93dd5f-3
0.427
ALP-POS-f13221e1-2
0.427
PET-UNK-1320d94d-21
0.424
PET-UNK-1320d94d-22
0.424
MAT-POS-fce787c2-10
0.423
ALP-POS-f13221e1-3
0.422
MIC-UNK-5a93dd5f-12
0.420
MAT-POS-fce787c2-11
0.417
PET-UNK-1320d94d-11
0.417
PET-UNK-1320d94d-17
0.417
PET-UNK-1320d94d-12
0.417
PET-UNK-1320d94d-18
0.417
NAU-LAT-2fed8305-2
0.413
MAT-POS-fce787c2-3
0.412
PET-UNK-1320d94d-27
0.411
PET-UNK-1320d94d-28
0.411
VLA-UNK-9a7dc93f-5
0.411
MIC-UNK-cdc2493e-17
0.411
MAK-UNK-ffc90da7-4
0.410
MAK-UNK-c749d764-22
0.410
MAK-UNK-919546f0-2
0.408
MAK-UNK-f481d203-3
0.408
MAK-UNK-f481d203-4
0.408