Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)Nc2cnccc2C2CC2)CC1 |
MW: | 302.17 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-12-14 |
Synthesis Location: | enamine |
Shipped: | 2021-01-14 |
BEN-DND-93268d01-8
0.631
EDJ-MED-3c65e9ce-1
0.631
BEN-DND-6de5dfa0-19
0.597
BEN-DND-6de5dfa0-20
0.571
BEN-DND-6de5dfa0-21
0.571
EDJ-MED-3c65e9ce-3
0.533
BEN-DND-6de5dfa0-6
0.527
NIR-THE-b7e8e081-1
0.507
BEN-DND-6de5dfa0-24
0.500
NAU-LAT-a5c7d7cb-1
0.493
BEN-DND-6de5dfa0-11
0.493
ALP-POS-6747fa38-1
0.493
VLA-UCB-05e51b3f-1
0.493
NIR-THE-d08c3b48-1
0.493
BEN-DND-6de5dfa0-23
0.493
BEN-DND-09b88bf4-2
0.486
BEN-DND-03406596-7
0.486
BEN-DND-6de5dfa0-1
0.486
BEN-DND-6de5dfa0-16
0.480
BEN-DND-6de5dfa0-7
0.480
NIR-THE-b7e8e081-2
0.480
BEN-DND-09b88bf4-6
0.480
JOH-IMS-d6628593-2
0.471
ALP-POS-95b75b4d-10
0.468
BEN-DND-09b88bf4-8
0.468
MAT-POS-bb423b95-4
0.468
ALP-POS-95b75b4d-5
0.468
SAD-SAT-24589cd1-9
0.466
BEN-DND-93268d01-9
0.465
BEN-DND-09b88bf4-5
0.465
EDJ-MED-3c65e9ce-4
0.446
BEN-DND-6de5dfa0-2
0.444
BEN-DND-09b88bf4-1
0.444
BEN-DND-6de5dfa0-22
0.438
BEN-DND-6de5dfa0-14
0.436
BEN-DND-6de5dfa0-3
0.434
BEN-DND-09b88bf4-3
0.434
NAU-LAT-3f5f3993-5
0.434
ANU-UNK-2781581f-1
0.434
RED-SAT-26a928c9-1
0.434
BEN-DND-6de5dfa0-18
0.432
BEN-DND-6de5dfa0-15
0.430
BEN-DND-93268d01-11
0.425
ALP-POS-df536be7-3
0.420
BEN-DND-93268d01-10
0.419
SAD-SAT-7d5528d9-6
0.419
BEN-DND-09b88bf4-7
0.414
IND-SYN-2c708b29-3
0.403
BEN-DND-22e6b372-1
0.390
LON-WEI-b8d98729-4
0.388
JAN-GHE-1d98ec1c-7
0.388
BEN-DND-6de5dfa0-5
0.380
SAD-SAT-7d5528d9-35
0.378
BEN-DND-6de5dfa0-17
0.367
BEN-DND-6de5dfa0-27
0.367
ALP-POS-d054b76b-7
0.366
BEN-DND-6de5dfa0-26
0.364
DAR-DIA-03336633-6
0.361
ALP-UNI-8d415491-1
0.360
BEN-DND-6de5dfa0-10
0.359
BEN-DND-09b88bf4-4
0.358
BEN-DND-6de5dfa0-4
0.358
BEN-DND-6de5dfa0-25
0.354
NAU-LAT-3f5f3993-2
0.354
ERI-UCB-9c7ec71b-2
0.352
EDJ-MED-e9694d2b-1
0.352
BEN-DND-6de5dfa0-9
0.349
MAR-TRE-6a44bbf2-27
0.346
BEN-DND-6de5dfa0-8
0.345
MAK-UNK-902cc841-15
0.345
SAD-SAT-7d5528d9-25
0.344
ALP-POS-95b75b4d-4
0.341
MAT-POS-590ac91e-5
0.338
PET-SGC-fedd1f79-1
0.333
TRY-UNI-714a760b-10
0.333
MAR-TRE-67513f76-73
0.333
BEN-DND-22e6b372-4
0.333
SAD-SAT-24589cd1-10
0.333
ALE-HEI-f28a35b5-6
0.333
EDG-MED-0da5ad92-4
0.333
JAN-GHE-83b26c96-11
0.329
MAK-UNK-6ca90168-26
0.329
NAU-LAT-3f5f3993-1
0.326
MAK-UNK-902cc841-17
0.326
BEN-DND-22e6b372-3
0.325
TAT-ENA-80bfd3e5-30
0.325
MAT-POS-590ac91e-7
0.321
MAR-TRE-6a44bbf2-12
0.321
ALE-HEI-f28a35b5-12
0.320
BEN-DND-22e6b372-2
0.318
MAR-TRE-9c797165-9
0.316
BEN-DND-6de5dfa0-12
0.315
SAM-UNK-2684b532-9
0.315
NAU-LAT-3f5f3993-10
0.315
ASH-SAT-43770c7d-9
0.315
MAT-POS-590ac91e-10
0.312
NAU-LAT-a5c7d7cb-3
0.312
VLA-UCB-05e51b3f-2
0.312
ALE-HEI-f28a35b5-17
0.312
SCO-VAN-260d9628-1
0.312