Molecular Properties | |
SMILES: | CN(C)c1ccc(C(Cc2ccsc2)C(=O)Nc2nnc3ccccn23)cc1 |
MW: | 391.15 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.53 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | 2020-10-13 |
N,N-Dialkyl aniline derivatives (5)
ALP-POS-8ed8d9ec-4
0.700
ALP-POS-8ed8d9ec-16
0.540
ALP-POS-a3de0cb1-7
0.500
ALP-POS-bad7201a-10
0.489
ALP-POS-bad7201a-3
0.473
RAL-THA-4a5dabff-5
0.469
ALP-POS-a3de0cb1-8
0.387
BEN-DND-02317c5c-8
0.374
NAU-LAT-a5c7d7cb-12
0.374
PET-UNK-e44ffd04-1
0.374
ALP-POS-a3de0cb1-3
0.359
ALP-POS-bad7201a-1
0.355
ALP-POS-a3de0cb1-4
0.351
RAL-THA-4a5dabff-6
0.349
ALP-POS-d2866bdf-1
0.340
ALP-POS-8ed8d9ec-14
0.333
RAL-THA-4a5dabff-7
0.330
RAL-THA-4a5dabff-4
0.327
RAL-THA-4a5dabff-2
0.315
PET-UNK-7374c256-1
0.314
ALP-POS-8ed8d9ec-7
0.314
PET-UNK-b75fdf9f-3
0.313
PET-UNK-55f647aa-3
0.303
PET-UNK-1901c25b-1
0.299
ROB-IMP-e811baff-1
0.292
ALP-POS-c59291d4-2
0.289
RUT-UNI-630c5802-24
0.288
PET-UNK-55f647aa-2
0.288
RAL-THA-d07c7800-4
0.287
ALP-POS-c59291d4-4
0.284
ALP-POS-8ed8d9ec-10
0.283
RUT-UNI-630c5802-26
0.277
ALP-POS-a3de0cb1-6
0.276
RAL-THA-d07c7800-2
0.276
RAL-THA-4a5dabff-8
0.274
RUT-UNI-630c5802-27
0.272
ALP-POS-c59291d4-3
0.271
PET-UNK-b75fdf9f-1
0.271
RAL-THA-d07c7800-6
0.271
ALP-POS-c59291d4-1
0.270
ALP-POS-bad7201a-5
0.270
RUT-UNI-630c5802-1
0.269
ALP-POS-bad7201a-11
0.269
PET-UNK-1901c25b-2
0.268
AAR-POS-8a4e0f60-11
0.268
ALP-POS-8ed8d9ec-11
0.268
RAL-THA-d07c7800-1
0.267
RAL-THA-4a5dabff-1
0.267
ALP-POS-c0c213c9-6
0.265
ALP-POS-8ed8d9ec-5
0.263
PET-UNK-55f647aa-1
0.263
RAL-THA-d07c7800-5
0.263
ALP-POS-bad7201a-9
0.261
ALP-POS-c0c213c9-5
0.257
WIL-UNI-d4749f31-7
0.257
WIL-UNI-2a57d06c-1
0.257
RAL-THA-d07c7800-3
0.257
RUT-UNI-630c5802-22
0.257
NIR-WEI-75ed5c39-1
0.257
RUT-UNI-630c5802-17
0.255
RUT-UNI-630c5802-18
0.255
RAL-THA-4a5dabff-3
0.255
RUT-UNI-630c5802-19
0.252
RUT-UNI-630c5802-4
0.250
RUT-UNI-630c5802-20
0.250
RUT-UNI-630c5802-21
0.250
SER-UNI-985a0e14-4
0.248
MAR-TRE-04c86cea-93
0.248
MAR-TRE-a9136c7b-67
0.248
MAK-UNK-212f693e-15
0.247
RUT-UNI-630c5802-25
0.246
ALP-POS-6d04362c-3
0.246
ALP-POS-6d04362c-4
0.246
LON-WEI-5e7d1b3e-31
0.245
MAT-POS-2492181e-5
0.245
LON-WEI-4d77710c-31
0.245
WIL-UNI-2a57d06c-28
0.245
MAK-UNK-6435e6c2-3
0.244
RUT-UNI-630c5802-2
0.243
ALP-POS-87c86d55-1
0.243
ALP-POS-6d04362c-1
0.243
WIL-UNI-d4749f31-45
0.241
MAR-UCB-195bc32d-14
0.240
RUT-UNI-630c5802-3
0.239
GAB-REV-70cc3ca5-2
0.239
MIC-UNK-d36ab305-4
0.237
NAU-LAT-a5c7d7cb-5
0.236
MAT-POS-ffe83904-1
0.236
WIL-UNI-d4749f31-28
0.236
DAR-DIA-093892e4-7
0.234
ALP-POS-7c842ab8-2
0.233
UNK-UNK-2ede4078-44
0.232
PET-UNK-b75fdf9f-2
0.230
ALP-POS-bad7201a-15
0.228
ALP-POS-8ed8d9ec-15
0.228
ALP-POS-c0c213c9-11
0.228
ALP-POS-6d04362c-2
0.228
CHO-MSK-00c5269a-3
0.228
ALP-POS-8ed8d9ec-8
0.228
MAK-UNK-212f693e-16
0.227