Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)n2nnc3ccccc32)cc1 |
MW: | 399.17 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.12 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
acyl_123_triazole
ALP-POS-a3de0cb1-1
0.614
ALP-POS-bad7201a-14
0.602
ALP-POS-c59291d4-2
0.470
ALP-POS-87c86d55-2
0.455
EDJ-MED-06d94977-1
0.451
ALP-POS-6d04362c-1
0.415
ALP-POS-bad7201a-7
0.400
MAT-POS-06036648-3
0.394
RUT-UNI-630c5802-5
0.382
ALP-POS-6d04362c-5
0.379
ROB-IMP-e811baff-1
0.377
RAL-THA-d07c7800-1
0.374
RAL-THA-d07c7800-2
0.370
MAT-POS-06036648-4
0.369
ALP-POS-a3de0cb1-2
0.369
RAL-THA-d07c7800-5
0.367
RAL-THA-d07c7800-3
0.356
ALP-POS-8ed8d9ec-1
0.349
RAL-THA-4a5dabff-6
0.349
RUT-UNI-630c5802-1
0.348
RAL-THA-d07c7800-4
0.345
ALP-POS-bad7201a-10
0.340
ALP-POS-c59291d4-3
0.339
RUT-UNI-630c5802-9
0.339
RAL-THA-d07c7800-6
0.333
ALP-POS-c59291d4-4
0.333
DAR-DIA-667e571f-5
0.331
RAL-THA-4a5dabff-8
0.330
ALP-POS-8ed8d9ec-11
0.327
MAD-UNK-b1ea4171-1
0.324
MAD-UNK-84a4f939-1
0.324
RUT-UNI-630c5802-13
0.319
ALP-POS-bad7201a-12
0.313
CHO-MSK-00c5269a-3
0.308
ALP-POS-bad7201a-15
0.308
ALP-POS-bad7201a-9
0.308
ALP-POS-6d04362c-2
0.308
JUA-UNI-b93289a4-5
0.308
ALP-POS-bad7201a-1
0.306
RUT-UNI-630c5802-27
0.306
DAR-DIA-093892e4-7
0.305
RAL-THA-4a5dabff-1
0.304
ALP-POS-d2866bdf-1
0.302
DAR-DIA-093892e4-9
0.301
DAR-DIA-093892e4-5
0.300
DAR-DIA-093892e4-11
0.300
UNK-UNK-2ede4078-29
0.299
CHO-MSK-00c5269a-1
0.296
UNK-UNK-2ede4078-14
0.296
ALP-POS-c59291d4-1
0.294
MAR-LAB-ca4662a6-7
0.293
ALP-POS-87c86d55-1
0.290
DAR-DIA-093892e4-1
0.289
CHO-MSK-00c5269a-2
0.288
RUT-UNI-630c5802-24
0.288
ALP-POS-75715966-5
0.288
RUT-UNI-630c5802-26
0.288
WIL-UNI-5578df48-3
0.287
ALP-POS-8ed8d9ec-5
0.286
ALP-POS-bad7201a-2
0.284
CHO-MSK-00c5269a-4
0.284
DAR-DIA-093892e4-8
0.284
ALP-POS-bad7201a-6
0.283
RUT-UNI-630c5802-6
0.283
PET-UNK-b75fdf9f-1
0.283
ALP-POS-bad7201a-5
0.282
DAR-DIA-093892e4-3
0.281
ALP-POS-75715966-1
0.281
DAR-DIA-093892e4-6
0.281
WIL-UNI-5578df48-8
0.280
RAL-THA-4a5dabff-2
0.279
PET-UNK-1901c25b-2
0.279
ALP-POS-6d04362c-4
0.278
ALP-POS-7c842ab8-1
0.278
PET-UNK-1901c25b-3
0.278
PET-UNK-7374c256-2
0.278
ALP-POS-c0c213c9-6
0.277
ALP-POS-a3de0cb1-9
0.277
ALP-POS-8ed8d9ec-13
0.277
DAR-DIA-093892e4-2
0.276
MAT-POS-bfb445d4-2
0.276
OLG-UNK-911c2067-1
0.275
CHO-MSK-00c5269a-5
0.274
RAL-THA-4a5dabff-7
0.274
DAR-DIA-093892e4-10
0.274
MAT-POS-bfb445d4-1
0.273
BEN-DND-61647d40-12
0.273
MAT-POS-3b92565d-14
0.273
MAR-LAB-efb042c5-6
0.273
BEN-DND-02317c5c-12
0.273
DAR-DIA-093892e4-12
0.272
DAR-DIA-093892e4-4
0.271
RUT-UNI-630c5802-22
0.268
RUT-UNI-630c5802-7
0.267
RUT-UNI-630c5802-8
0.267
ALP-POS-6d04362c-3
0.267
RUT-UNI-630c5802-25
0.266
MAT-POS-06036648-5
0.266
MAR-TRE-04c86cea-30
0.265
MAT-POS-06036648-9
0.264