Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCOCC2)cc1 |
MW: | 433.16 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 63.49 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 11.6228762710328 |
IC50 (µM) - RapidFire: | 21.3174444702804 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | sai |
Shipped: | 2020-11-04 |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-d2866bdf-1
ALP-POS-6d04362c-3
0.814
ALP-POS-6d04362c-5
0.756
PET-UNK-b75fdf9f-1
0.726
CHO-MSK-00c5269a-4
0.717
ALP-POS-c59291d4-4
0.713
RAL-THA-4a5dabff-1
0.711
ALP-POS-d2866bdf-1
0.709
ALP-POS-bad7201a-5
0.705
RUT-UNI-630c5802-24
0.689
ALP-POS-c59291d4-1
0.685
PET-UNK-1901c25b-2
0.678
RUT-UNI-630c5802-27
0.674
RUT-UNI-630c5802-26
0.670
ALP-POS-c0c213c9-6
0.670
ROB-IMP-e811baff-1
0.667
ALP-POS-c59291d4-2
0.660
ALP-POS-c59291d4-3
0.656
RAL-THA-4a5dabff-3
0.633
RUT-UNI-630c5802-1
0.633
RAL-THA-4a5dabff-2
0.624
DAR-DIA-093892e4-11
0.617
ALP-POS-c0c213c9-12
0.611
RUT-UNI-630c5802-25
0.596
MAT-POS-ffe83904-1
0.581
CHO-MSK-00c5269a-5
0.580
RAL-THA-4a5dabff-8
0.580
ALP-POS-7c842ab8-1
0.576
PET-UNK-b75fdf9f-2
0.574
DAR-DIA-093892e4-9
0.529
ALP-POS-8ed8d9ec-12
0.524
RUT-UNI-630c5802-21
0.520
RUT-UNI-630c5802-17
0.515
ALP-POS-6d04362c-1
0.511
RUT-UNI-630c5802-20
0.505
MAD-UNK-84a4f939-1
0.505
MAD-UNK-b1ea4171-1
0.505
DAR-DIA-093892e4-10
0.505
RUT-UNI-630c5802-18
0.500
RUT-UNI-630c5802-22
0.495
RUT-UNI-630c5802-19
0.495
OLG-UNK-911c2067-1
0.495
HOL-KAN-828c7b64-1
0.491
CHO-MSK-00c5269a-2
0.490
CHO-MSK-00c5269a-1
0.490
ALP-POS-6d04362c-2
0.490
CHO-MSK-00c5269a-3
0.490
ALP-POS-bad7201a-15
0.490
DAR-DIA-093892e4-7
0.490
ALP-POS-bad7201a-14
0.485
ALP-POS-87c86d55-1
0.485
DAR-DIA-093892e4-12
0.481
DAR-DIA-093892e4-5
0.476
DAR-DIA-093892e4-1
0.472
RUT-UNI-630c5802-23
0.471
RUT-UNI-630c5802-9
0.468
DAR-DIA-093892e4-2
0.467
ALP-POS-bad7201a-6
0.467
RUT-UNI-630c5802-5
0.464
DAR-DIA-093892e4-8
0.463
ALP-POS-c0c213c9-18
0.462
DAR-DIA-093892e4-4
0.459
ALP-POS-87c86d55-2
0.458
PET-UNK-7374c256-2
0.455
PET-UNK-1901c25b-3
0.455
DAR-DIA-093892e4-6
0.449
DAR-DIA-093892e4-3
0.449
RAL-THA-4a5dabff-5
0.442
ALP-POS-8ed8d9ec-7
0.441
PET-UNK-7374c256-1
0.441
ALP-POS-75715966-5
0.434
PET-UNK-b75fdf9f-3
0.433
ALP-POS-c0c213c9-3
0.418
RAL-THA-4a5dabff-4
0.416
ALP-POS-c0c213c9-15
0.415
ALP-POS-75715966-1
0.409
RUT-UNI-630c5802-13
0.409
MAR-LAB-ca4662a6-7
0.407
ALP-POS-c0c213c9-11
0.406
ALP-POS-c0c213c9-13
0.404
UNK-UNK-2ede4078-8
0.398
EDJ-MED-06d94977-1
0.396
ALP-POS-bad7201a-9
0.393
EDJ-MED-06d94977-2
0.390
UNK-UNK-2ede4078-81
0.388
MAK-UNK-b7886382-2
0.388
AAR-POS-8a4e0f60-8
0.387
ALP-POS-bad7201a-1
0.387
UNK-UNK-2ede4078-94
0.386
RAL-THA-4a5dabff-7
0.386
VLA-UCB-34f3ed0c-2
0.385
RAL-THA-d07c7800-1
0.381
RAL-THA-4a5dabff-6
0.381
ALP-POS-8ed8d9ec-6
0.378
ALP-POS-c0c213c9-5
0.377
RAL-THA-d07c7800-3
0.377
MAT-POS-06036648-5
0.374
AAR-POS-8a4e0f60-1
0.369
MAT-POS-06036648-1
0.368
HOL-KAN-47917554-1
0.366
UNK-UNK-2ede4078-29
0.364