Molecular Properties | |
SMILES: | CC(NC(=O)CN)(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 416.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 97.11 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.02199076603366 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Long aliphatic chain
Dipeptide
MAT-POS-e9e99895-11
0.785
MAT-POS-e9e99895-12
0.775
MAT-POS-e9e99895-9
0.719
MAT-POS-fce787c2-9
0.711
MAT-POS-e9e99895-6
0.653
MAT-POS-e9e99895-7
0.639
MAT-POS-e9e99895-13
0.637
MAT-POS-e9e99895-3
0.630
MAT-POS-fce787c2-7
0.613
MAT-POS-e9e99895-1
0.613
MAT-POS-e9e99895-4
0.611
MAT-POS-e9e99895-8
0.600
MAT-POS-e9e99895-5
0.592
MAT-POS-e9e99895-2
0.580
MAT-POS-fce787c2-6
0.568
RAL-THA-2d450e86-24
0.488
PET-UNK-dd44aeb6-2
0.488
NAU-LAT-2fed8305-1
0.488
MAT-POS-23a8a11a-1
0.488
MAT-POS-1f3f1a6f-1
0.460
MAT-POS-fce787c2-3
0.460
RAL-THA-2d450e86-36
0.452
PET-UNK-8c422e11-1
0.452
RAL-THA-2d450e86-9
0.449
RAL-THA-2d450e86-8
0.449
MAT-POS-fce787c2-11
0.449
MAT-POS-fce787c2-2
0.447
MAT-POS-fce787c2-1
0.446
MAT-POS-1f3f1a6f-3
0.446
MAT-POS-de59a476-2
0.444
ALP-POS-f13221e1-2
0.444
MAT-POS-fce787c2-5
0.444
MAT-POS-fce787c2-4
0.443
MAT-POS-de59a476-1
0.443
PET-UNK-8c422e11-2
0.442
MAT-POS-de59a476-4
0.442
MAT-POS-1f3f1a6f-2
0.440
RAL-THA-2d450e86-27
0.438
RAL-THA-2d450e86-33
0.437
MAT-POS-de59a476-5
0.436
ALP-POS-df536be7-5
0.436
RAL-THA-2d450e86-2
0.435
RAL-THA-2d450e86-6
0.433
RAL-THA-2d450e86-15
0.433
MAT-POS-afd4d4fd-3
0.432
VLA-UNK-b9c208fe-2
0.432
RAL-THA-2d450e86-30
0.430
VLA-UNK-9a7dc93f-1
0.429
LON-WEI-af038623-3
0.429
NAU-LAT-2fed8305-5
0.427
BEN-DND-a02b439d-13
0.426
MAT-POS-fce787c2-8
0.424
RAL-THA-2d450e86-21
0.424
MAT-POS-1f3f1a6f-4
0.423
PET-UNK-dd44aeb6-1
0.422
RAL-THA-2d450e86-19
0.422
MAT-POS-afd4d4fd-1
0.422
RAL-THA-2d450e86-25
0.422
RAL-THA-2d450e86-20
0.422
NAU-LAT-2fed8305-9
0.420
ADA-UCB-6c2cb422-1
0.420
RAL-THA-2d450e86-32
0.420
RAL-THA-2d450e86-18
0.419
ALP-POS-3b848b35-1
0.419
MAT-POS-3b92565d-2
0.419
RAL-THA-1d44ff04-4
0.419
MIC-UNK-df9dcda8-3
0.419
PET-UNK-8c422e11-4
0.418
DAR-DIA-0587064e-4
0.418
PET-UNK-3c72d439-1
0.418
MIC-UNK-37660950-2
0.417
RAL-THA-2d450e86-13
0.416
MAT-POS-afd4d4fd-2
0.416
RAL-THA-2d450e86-34
0.416
MAT-POS-bbbbc21a-1
0.415
MAT-POS-3b92565d-1
0.415
RAL-THA-2d450e86-29
0.415
BEN-DND-d1eb1f41-4
0.415
ADA-UCB-dc2b944c-17
0.413
PET-UNK-bb7ffe78-1
0.413
EDJ-MED-9e38fd34-1
0.412
EDJ-MED-9e38fd34-5
0.412
EDJ-MED-9e38fd34-6
0.412
EDJ-MED-9e38fd34-3
0.412
MIC-UNK-08fa0751-2
0.412
EDJ-MED-9e38fd34-2
0.412
EDJ-MED-9e38fd34-4
0.412
VLA-UNK-9a7dc93f-5
0.411
VLA-UNK-9a7dc93f-6
0.411
BEN-DND-d1eb1f41-6
0.411
MAT-POS-fce787c2-10
0.410
RAL-THA-2d450e86-4
0.409
RAL-THA-2d450e86-22
0.409
RAL-THA-2d450e86-3
0.407
MAK-UNK-919546f0-5
0.407
RYA-UNI-14580791-1
0.407
ALP-POS-f13221e1-3
0.407
MIC-UNK-df9dcda8-4
0.406
DAR-DIA-0587064e-7
0.406
RAL-THA-2d450e86-1
0.405