Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 392.14 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 67.15 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.85167897949968 |
IC50 (µM) - RapidFire: | 14.2969782860163 |
Order Status | |
Shipped: | 2020-10-21 |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-87c86d55-2
0.729
ALP-POS-6d04362c-1
0.684
ALP-POS-d2866bdf-1
0.683
PET-UNK-1901c25b-3
0.643
PET-UNK-7374c256-2
0.643
DAR-DIA-093892e4-7
0.631
CHO-MSK-00c5269a-3
0.609
ALP-POS-bad7201a-15
0.609
ALP-POS-6d04362c-2
0.609
DAR-DIA-093892e4-5
0.589
DAR-DIA-093892e4-6
0.570
DAR-DIA-093892e4-3
0.570
DAR-DIA-093892e4-1
0.564
DAR-DIA-093892e4-9
0.564
DAR-DIA-093892e4-4
0.562
RAL-THA-4a5dabff-2
0.560
DAR-DIA-093892e4-2
0.558
RUT-UNI-630c5802-26
0.554
DAR-DIA-093892e4-8
0.552
DAR-DIA-093892e4-10
0.552
RAL-THA-4a5dabff-1
0.547
PET-UNK-b75fdf9f-1
0.545
ALP-POS-c59291d4-4
0.538
ALP-POS-c59291d4-1
0.533
ALP-POS-bad7201a-5
0.533
PET-UNK-1901c25b-2
0.527
ALP-POS-c0c213c9-6
0.521
RUT-UNI-630c5802-24
0.521
ALP-POS-c0c213c9-18
0.521
MAT-POS-06036648-1
0.511
OLG-UNK-911c2067-1
0.511
RUT-UNI-630c5802-27
0.510
ALP-POS-75715966-5
0.505
ROB-IMP-e811baff-1
0.505
ALP-POS-c59291d4-2
0.500
ALP-POS-bad7201a-14
0.500
RUT-UNI-630c5802-1
0.495
ALP-POS-75715966-1
0.490
MAD-UNK-b1ea4171-1
0.490
MAD-UNK-84a4f939-1
0.490
CHO-MSK-00c5269a-1
0.489
ALP-POS-6d04362c-3
0.485
ALP-POS-6d04362c-4
0.485
ALP-POS-c0c213c9-15
0.484
RAL-THA-4a5dabff-3
0.484
ALP-POS-6d04362c-5
0.479
RAL-THA-4a5dabff-8
0.475
CHO-MSK-00c5269a-2
0.474
ALP-POS-c59291d4-3
0.471
MAR-LAB-ca4662a6-7
0.469
MAT-POS-ffe83904-1
0.467
RUT-UNI-630c5802-9
0.467
RUT-UNI-630c5802-5
0.462
DAR-DIA-093892e4-11
0.459
MAT-POS-06036648-2
0.459
UNK-UNK-2ede4078-81
0.457
ALP-POS-7c842ab8-1
0.455
RUT-UNI-630c5802-25
0.454
RAL-THA-4a5dabff-5
0.454
DAR-DIA-093892e4-12
0.450
PET-UNK-b75fdf9f-2
0.448
RUT-UNI-630c5802-13
0.443
RUT-UNI-630c5802-21
0.443
UNK-UNK-2ede4078-94
0.440
RUT-UNI-630c5802-17
0.438
RUT-UNI-630c5802-18
0.438
EDJ-MED-06d94977-1
0.435
CHO-MSK-00c5269a-5
0.433
CHO-MSK-00c5269a-4
0.433
DAR-DIA-667e571f-2
0.431
EDJ-MED-06d94977-2
0.429
RUT-UNI-630c5802-20
0.429
ALP-POS-c0c213c9-3
0.427
PET-UNK-7374c256-1
0.423
ALP-POS-8ed8d9ec-7
0.423
RUT-UNI-630c5802-22
0.420
VLA-UCB-34f3ed0c-2
0.420
WIL-UNI-2e73223c-2
0.419
RUT-UNI-630c5802-19
0.418
ALP-POS-c0c213c9-13
0.411
WIL-UNI-2e73223c-1
0.410
MAT-POS-06036648-5
0.408
AAR-POS-8a4e0f60-8
0.408
AAR-POS-8a4e0f60-7
0.406
UNK-UNK-2ede4078-8
0.406
RUT-UNI-630c5802-23
0.398
PET-UNK-b75fdf9f-3
0.398
HOL-KAN-828c7b64-1
0.396
UNK-UNK-2ede4078-29
0.394
AAR-POS-8a4e0f60-1
0.388
MAR-LAB-ff9967db-24
0.388
MAR-LAB-ff9967db-30
0.381
MAT-POS-06036648-3
0.381
NAU-LAT-3f5f3993-4
0.378
ANT-DIA-62e4526e-1
0.375
DAR-DIA-667e571f-7
0.374
WIL-UNI-2e73223c-3
0.374
HOL-KAN-47917554-1
0.371
MAR-LAB-ca4662a6-8
0.370
ALP-POS-c0c213c9-4
0.369