Molecular Properties | |
SMILES: | CN(C)c1ccc(C(Cc2ccsc2)C(=O)Nn2cnc3ccccc32)cc1 |
MW: | 390.15 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 50.16 |
cLogP: | 4.26 |
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: | 2020-10-01 |
Singel acyclic N-N bonds
N,N-Dialkyl aniline derivatives (5)
ALP-POS-8ed8d9ec-14
0.685
ALP-POS-8ed8d9ec-3
0.500
ALP-POS-a3de0cb1-10
0.500
RAL-THA-4a5dabff-5
0.500
ALP-POS-bad7201a-8
0.495
ALP-POS-a3de0cb1-12
0.458
ALP-POS-8ed8d9ec-7
0.424
PET-UNK-7374c256-1
0.424
BAR-COM-0f94fc3d-10
0.400
BAR-COM-0f94fc3d-12
0.385
MAT-POS-c478e61b-2
0.373
JAN-GHE-5a013bed-2
0.366
JAN-GHE-f4ca5a00-9
0.363
RAL-THA-4a5dabff-7
0.357
RAL-THA-4a5dabff-4
0.356
ALP-POS-d2866bdf-1
0.356
ALP-POS-a3de0cb1-8
0.353
RAL-THA-4a5dabff-6
0.351
BAR-COM-0f94fc3d-32
0.350
MAT-POS-3b92565d-11
0.347
MAT-POS-06036648-8
0.343
ALP-POS-bad7201a-7
0.339
ALP-POS-8ed8d9ec-9
0.339
MAT-POS-3b92565d-10
0.337
BAR-COM-0f94fc3d-42
0.337
BAR-COM-0f94fc3d-24
0.333
JAN-GHE-f4ca5a00-7
0.333
RAL-THA-4a5dabff-2
0.330
ALP-POS-a3de0cb1-3
0.324
ALP-POS-8ed8d9ec-4
0.324
KRI-MAR-d2e3ef86-2
0.321
PET-UNK-1901c25b-2
0.318
JAN-GHE-f4ca5a00-1
0.315
BAR-COM-0f94fc3d-37
0.315
BAR-COM-0f94fc3d-8
0.312
BAR-COM-0f94fc3d-29
0.309
RUT-UNI-630c5802-24
0.304
JAN-GHE-f4ca5a00-3
0.303
ALP-POS-c59291d4-4
0.300
ALP-POS-bad7201a-9
0.300
TAT-ENA-80bfd3e5-33
0.299
MAT-POS-3b92565d-12
0.298
MAT-POS-c478e61b-1
0.298
PET-UNK-55f647aa-3
0.294
RUT-UNI-630c5802-26
0.292
PET-UNK-1901c25b-1
0.291
RUT-UNI-630c5802-21
0.288
RAL-THA-4a5dabff-8
0.288
PET-UNK-b75fdf9f-1
0.287
ALP-POS-bad7201a-5
0.286
ROB-IMP-e811baff-1
0.284
RUT-UNI-630c5802-22
0.283
RAL-THA-4a5dabff-1
0.283
ALP-POS-c59291d4-2
0.282
RUT-UNI-630c5802-18
0.282
ALP-POS-c0c213c9-6
0.281
PET-UNK-b75fdf9f-3
0.279
ALP-POS-8ed8d9ec-15
0.277
RUT-UNI-630c5802-27
0.276
ALP-POS-c59291d4-1
0.274
RAL-THA-4a5dabff-3
0.270
RUT-UNI-630c5802-17
0.270
ALP-POS-87c86d55-1
0.270
PET-UNK-55f647aa-2
0.270
RUT-UNI-630c5802-19
0.268
PET-UNK-55f647aa-1
0.267
RUT-UNI-630c5802-20
0.265
ALP-POS-c59291d4-3
0.264
ALP-POS-8ed8d9ec-8
0.262
RUT-UNI-630c5802-1
0.262
MAK-UNK-acefcb18-15
0.262
DAR-DIA-093892e4-7
0.261
ALP-POS-6d04362c-3
0.261
ALP-POS-6d04362c-4
0.261
MAT-POS-ffe83904-1
0.260
PET-UNK-b75fdf9f-2
0.257
RAL-THA-d07c7800-5
0.256
ALP-POS-a3de0cb1-13
0.256
MAT-POS-06036648-1
0.252
ALP-POS-bad7201a-4
0.250
NIR-WEI-75ed5c39-1
0.250
RUT-UNI-630c5802-25
0.250
JAN-GHE-74b8b0cb-2
0.248
ALP-POS-6d04362c-1
0.248
MAR-UCB-195bc32d-14
0.245
ALP-POS-8ed8d9ec-10
0.244
ALP-POS-6d04362c-2
0.243
CHO-MSK-00c5269a-3
0.243
ALP-POS-bad7201a-15
0.243
RAL-THA-d07c7800-6
0.241
NAU-LAT-a5c7d7cb-5
0.241
RAL-THA-d07c7800-4
0.238
DAR-DIA-093892e4-2
0.238
DAR-DIA-093892e4-5
0.237
PET-UNK-7374c256-2
0.237
PET-UNK-1901c25b-3
0.237
UNK-UNK-2ede4078-44
0.237
MAK-UNK-6435e6c2-3
0.236
DAR-DIA-093892e4-8
0.236
RUT-UNI-630c5802-23
0.235