Molecular Properties | |
SMILES: | O=CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 |
MW: | 266.08 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 1.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 53.1317276639134 |
Order Status | |
Shipped: | 2021-03-03 |
aldehyde
alpha_dicarbonyl
aldehyde
diketo group
Aldehydes
α-Diketones
Filter38_aldehyde
aldehyde
1,2-dicarbonyl not in ring
aldehyde
Oxalyl
Aldehyde
MAK-UNK-6ca90168-13
0.800
AAR-POS-d2a4d1df-35
0.692
HYO-UNK-49a60884-1
0.692
MED-COV-4280ac29-15
0.692
JOH-UNI-0e1753c1-3
0.692
JOH-UNI-23d9e1b1-1
0.667
JOH-UNI-0e1753c1-1
0.649
AAR-POS-0daf6b7e-29
0.547
JOH-IMS-1436231f-6
0.547
SEA-TRI-146a67b6-1
0.500
SEA-TRI-9e600f3c-1
0.500
AHN-SAT-02ef6d10-10
0.500
MED-COV-4280ac29-13
0.477
ERI-UCB-a0b0dbcb-12
0.474
SAD-SAT-c989feaa-7
0.465
SAD-SAT-7d5528d9-21
0.462
AAR-POS-d2a4d1df-24
0.459
SAD-SAT-1f400d17-1
0.456
JOK-SYG-18591e8f-1
0.453
DRR-IMP-38dce17f-2
0.452
DAN-LON-a5fc619e-4
0.449
SAD-SAT-1f400d17-6
0.448
MAT-POS-ee51dedd-1
0.446
SAD-SAT-c989feaa-6
0.444
SAD-SAT-b55127ae-1
0.438
PAT-UNK-b2d83456-2
0.438
DAN-LON-a5fc619e-10
0.437
PAT-UNK-b2d83456-1
0.429
SAD-SAT-7d5528d9-6
0.429
SAD-SAT-581007d4-8
0.429
DAN-LON-a5fc619e-1
0.426
DAN-LON-a5fc619e-2
0.426
DAN-LON-a5fc619e-5
0.425
SAD-SAT-7d5528d9-7
0.423
AVI-UNI-c9bf710f-1
0.423
SAD-SAT-7d5528d9-18
0.419
ASH-SAT-43770c7d-3
0.418
MED-COV-4280ac29-2
0.413
AVI-UNI-70b60925-1
0.412
SAD-SAT-c989feaa-5
0.411
MAK-UNK-af83ef51-10
0.408
SAD-SAT-7d5528d9-49
0.408
DAN-LON-a5fc619e-3
0.405
SAD-SAT-7d5528d9-15
0.405
JOH-UNI-0e1753c1-5
0.405
SAD-SAT-7d5528d9-24
0.403
PAU-UNI-8cdd41c7-1
0.400
SAD-SAT-7d5528d9-11
0.400
ANT-OPE-c0c3e7cc-1
0.400
JOH-UNI-0e1753c1-4
0.400
SAD-SAT-c989feaa-3
0.397
WIL-LEE-23e8b574-3
0.397
ANT-OPE-d972fbad-1
0.393
SAD-SAT-b55127ae-4
0.391
DRR-IMP-38dce17f-3
0.390
MAK-UNK-7c9d1431-24
0.390
MAK-UNK-10dfa458-14
0.388
JAN-GHE-1d98ec1c-8
0.386
MAT-POS-4e253971-2
0.384
MAK-UNK-7c9d1431-29
0.383
SAD-SAT-7d5528d9-35
0.383
PAT-UNK-b2d83456-3
0.382
SAD-SAT-2ceae68f-8
0.382
DAN-LON-a5fc619e-6
0.382
DAN-LON-a5fc619e-9
0.382
MAK-UNK-cd94b63c-1
0.382
MAK-UNK-176ca439-3
0.382
MED-COV-4280ac29-14
0.381
VIT-UNK-2a0afa28-3
0.380
SAD-SAT-7d5528d9-13
0.380
DAN-LON-a5fc619e-8
0.377
JAN-GHE-1d98ec1c-2
0.377
DAN-LON-a5fc619e-7
0.377
KIM-UNI-2ee5d8f9-1
0.371
SAD-SAT-581007d4-7
0.369
SAD-SAT-581007d4-1
0.369
SAD-SAT-581007d4-2
0.369
MAT-POS-2db6411e-2
0.369
MAK-UNK-849bee6c-7
0.368
MAK-UNK-176ca439-4
0.366
MAK-UNK-3c359d2a-1
0.366
MAK-UNK-10dfa458-1
0.365
MAK-UNK-10dfa458-45
0.365
MAK-UNK-849bee6c-9
0.364
ALP-POS-91609ae9-1
0.361
MAK-UNK-6ca90168-15
0.359
TAM-UNI-d1c3dd9f-12
0.359
MAK-UNK-849bee6c-16
0.358
SAD-SAT-7d5528d9-36
0.358
DRR-IMP-38dce17f-4
0.354
MAK-UNK-176ca439-2
0.354
MAK-UNK-849bee6c-5
0.354
VIT-UNK-cff011c0-2
0.351
MAK-UNK-849bee6c-14
0.350
MAK-UNK-e4a48a85-7
0.349
NAM-UNK-f7c77a48-3
0.348
MED-COV-4280ac29-6
0.348
ALP-POS-91609ae9-2
0.347
MAK-UNK-ec98eaf6-44
0.347
DRR-IMP-38dce17f-1
0.344