Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)Nc2cnccc2-c2ccccc2)CC1 |
MW: | 338.17 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-12-14 |
Synthesis Location: | enamine |
Shipped: | 2021-01-08 |
EDJ-MED-3c65e9ce-1
0.580
BEN-DND-93268d01-8
0.580
BEN-DND-6de5dfa0-19
0.571
BEN-DND-6de5dfa0-21
0.548
BEN-DND-6de5dfa0-20
0.548
EDJ-MED-3c65e9ce-2
0.533
MAT-POS-bb423b95-3
0.500
ALP-POS-0c2c77e1-1
0.500
NAU-LAT-a5c7d7cb-1
0.494
ALP-POS-6747fa38-1
0.494
BEN-DND-6de5dfa0-11
0.494
NIR-THE-d08c3b48-1
0.494
VLA-UCB-05e51b3f-1
0.494
ANU-UNK-2781581f-1
0.488
RED-SAT-26a928c9-1
0.488
BEN-DND-6de5dfa0-6
0.487
BEN-DND-6de5dfa0-2
0.481
BEN-DND-09b88bf4-1
0.481
BEN-DND-6de5dfa0-24
0.479
BEN-DND-09b88bf4-2
0.468
BEN-DND-03406596-7
0.468
BEN-DND-6de5dfa0-1
0.468
BEN-DND-6de5dfa0-16
0.462
NIR-THE-b7e8e081-2
0.462
BEN-DND-6de5dfa0-23
0.452
NIR-THE-b7e8e081-1
0.449
BEN-DND-09b88bf4-7
0.448
BEN-DND-6de5dfa0-7
0.443
BEN-DND-09b88bf4-6
0.443
BEN-DND-6de5dfa0-22
0.440
BAR-COM-0f94fc3d-40
0.440
BEN-DND-09b88bf4-8
0.432
BEN-DND-93268d01-9
0.427
BEN-DND-09b88bf4-5
0.427
ALP-POS-ddb41b15-7
0.417
BEN-DND-6de5dfa0-18
0.416
NAU-LAT-3f5f3993-5
0.400
BEN-DND-09b88bf4-3
0.400
BEN-DND-6de5dfa0-3
0.400
JAN-GHE-1d98ec1c-7
0.390
LON-WEI-b8d98729-4
0.390
BEN-DND-93268d01-11
0.390
BEN-DND-93268d01-10
0.385
MAR-TRE-6a44bbf2-27
0.383
EDJ-MED-3c65e9ce-4
0.375
BEN-DND-a7517465-7
0.371
BEN-DND-6de5dfa0-17
0.370
BEN-DND-6de5dfa0-27
0.370
BEN-DND-6de5dfa0-14
0.369
BEN-DND-6de5dfa0-26
0.367
MAK-UNK-129dcd6f-6
0.367
MAK-UNK-129dcd6f-3
0.365
BEN-DND-6de5dfa0-15
0.365
BEN-DND-22e6b372-1
0.360
ANU-UNK-2781581f-2
0.360
MAK-UNK-129dcd6f-7
0.352
BEN-DND-6de5dfa0-5
0.349
MAK-UNK-129dcd6f-1
0.344
MAR-TRE-67513f76-73
0.337
MAK-UNK-129dcd6f-2
0.337
BEN-DND-6de5dfa0-8
0.333
MAK-UNK-902cc841-15
0.333
TRY-UNI-714a760b-5
0.333
NAU-LAT-3f5f3993-1
0.330
BEN-DND-09b88bf4-4
0.329
BEN-DND-6de5dfa0-4
0.329
BEN-DND-6de5dfa0-10
0.329
TAT-ENA-80bfd3e5-30
0.329
BEN-DND-6de5dfa0-25
0.325
MAR-TRE-6a44bbf2-12
0.325
PET-SGC-fedd1f79-1
0.324
BEN-DND-6de5dfa0-9
0.322
DAR-DIA-03336633-8
0.320
JAN-GHE-83b26c96-11
0.316
VLA-UCB-05e51b3f-2
0.316
NAU-LAT-a5c7d7cb-3
0.316
MAR-TRE-6a44bbf2-3
0.314
MAT-POS-590ac91e-6
0.312
MAK-UNK-129dcd6f-8
0.311
MAK-UNK-902cc841-16
0.311
MAR-TRE-d0525fbf-64
0.311
DAR-DIA-03336633-6
0.311
VLA-UCB-05e51b3f-3
0.310
BEN-DND-93268d01-14
0.310
BEN-DND-93268d01-13
0.310
BEN-DND-22e6b372-4
0.306
ALP-POS-90c18d1d-1
0.305
NAU-LAT-3f5f3993-10
0.305
BEN-DND-93268d01-3
0.301
MAR-TRE-6a44bbf2-47
0.301
RIT-AID-b8bd8251-1
0.301
MAK-UNK-902cc841-17
0.301
BEN-DND-22e6b372-3
0.299
WIL-LEE-23e8b574-6
0.299
MAK-UNK-6ca90168-26
0.297
MAK-UNK-129dcd6f-5
0.297
DAR-DIA-03336633-9
0.296
MAK-UNK-f203cb68-7
0.296
NAU-LAT-3f5f3993-4
0.295
BEN-DND-6de5dfa0-13
0.295