Molecular Properties | |
SMILES: | O=C(Cc1nnn2ccccc12)N(Cc1ccccc1)c1ccc(N2CCCCC2)cc1 |
MW: | 425.22 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 53.74 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | 2020-10-28 |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-a3de0cb1-9
1.000
ALP-POS-bad7201a-6
0.807
ALP-POS-6d04362c-5
0.470
ALP-POS-6d04362c-3
0.462
CHO-MSK-00c5269a-5
0.453
ALP-POS-7c842ab8-1
0.448
ALP-POS-7c842ab8-2
0.443
ALP-POS-8ed8d9ec-6
0.419
ALP-POS-a3de0cb1-16
0.400
ALP-POS-6d04362c-1
0.380
ALP-POS-bad7201a-2
0.375
ALP-POS-a3de0cb1-4
0.372
DAR-DIA-093892e4-11
0.370
ALP-POS-bad7201a-12
0.368
ALP-POS-bad7201a-14
0.364
ALP-POS-bad7201a-1
0.364
ALP-POS-6d04362c-4
0.357
CHO-MSK-00c5269a-4
0.351
ALP-POS-8ed8d9ec-9
0.345
ALP-POS-8ed8d9ec-12
0.345
MAR-LAB-efb042c5-6
0.345
DAR-DIA-093892e4-9
0.333
ALP-POS-bad7201a-13
0.331
UNK-UNK-2ede4078-14
0.320
MAK-UNK-b7886382-2
0.319
DAR-DIA-093892e4-10
0.316
ALP-POS-a3de0cb1-15
0.308
ALP-POS-a3de0cb1-2
0.308
ALP-POS-c0c213c9-12
0.307
ALP-POS-c59291d4-1
0.304
ALP-POS-c59291d4-3
0.303
RUT-UNI-630c5802-1
0.300
MAD-UNK-84a4f939-1
0.298
MAD-UNK-b1ea4171-1
0.298
RUT-UNI-630c5802-5
0.298
ALP-POS-8ed8d9ec-10
0.293
RUT-UNI-630c5802-9
0.293
ROB-IMP-e811baff-1
0.291
RAL-THA-4a5dabff-1
0.290
ALP-POS-8ed8d9ec-11
0.289
ALP-POS-a3de0cb1-6
0.287
RUT-UNI-630c5802-13
0.285
ALP-POS-c59291d4-4
0.283
PET-UNK-b75fdf9f-1
0.282
PET-UNK-1901c25b-2
0.278
ALP-POS-c59291d4-2
0.277
ALP-POS-d2866bdf-1
0.277
ALP-POS-a1bdc92a-1
0.277
DAR-DIA-093892e4-5
0.276
ALP-POS-c0c213c9-6
0.276
RUT-UNI-630c5802-25
0.276
ALP-POS-bad7201a-10
0.275
UNK-UNK-2ede4078-7
0.274
DAR-DIA-093892e4-8
0.273
ALP-POS-6d04362c-2
0.272
ALP-POS-bad7201a-15
0.272
CHO-MSK-00c5269a-3
0.272
CHO-MSK-00c5269a-1
0.272
RUT-UNI-630c5802-27
0.271
DAR-DIA-093892e4-12
0.271
RUT-UNI-630c5802-6
0.271
ALP-POS-bad7201a-5
0.270
ALP-POS-a3de0cb1-11
0.268
DAR-DIA-093892e4-7
0.268
ALP-POS-a3de0cb1-1
0.267
ALP-POS-c0c213c9-3
0.267
DAR-DIA-093892e4-1
0.267
UNK-UNK-2ede4078-29
0.266
RUT-UNI-630c5802-24
0.265
RUT-UNI-630c5802-26
0.265
CHO-MSK-00c5269a-2
0.265
ALP-POS-c0c213c9-18
0.265
RUT-UNI-630c5802-2
0.265
ALP-POS-a3de0cb1-8
0.262
WIL-UNI-5578df48-3
0.260
RUT-UNI-630c5802-10
0.258
ALP-POS-c0c213c9-5
0.257
RUT-UNI-630c5802-8
0.256
ALP-POS-87c86d55-2
0.256
RAL-THA-d07c7800-1
0.256
RUT-UNI-630c5802-7
0.256
ALP-POS-87c86d55-1
0.254
RAL-THA-d07c7800-2
0.254
DAR-DIA-093892e4-2
0.254
PAT-UNK-b2d83456-3
0.253
WIL-UNI-5578df48-8
0.253
OLG-UNK-911c2067-1
0.252
RAL-THA-d07c7800-5
0.252
RUT-UNI-630c5802-3
0.250
RUT-UNI-630c5802-4
0.250
DAR-DIA-093892e4-4
0.250
DAR-DIA-093892e4-6
0.248
DAR-DIA-093892e4-3
0.248
RUT-UNI-630c5802-14
0.246
RAL-THA-4a5dabff-2
0.246
RUT-UNI-630c5802-12
0.244
RAL-THA-d07c7800-4
0.244
ALP-POS-75715966-5
0.244
PET-UNK-1901c25b-3
0.243
RAL-THA-4a5dabff-3
0.243