Molecular Properties | |
SMILES: | CC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)[C@@H](CC(C)C)C1 |
MW: | 336.16 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 40.62 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-03-03 |
alpha_dicarbonyl
diketo group
α-Diketones
Ketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
SAD-SAT-c989feaa-6
0.729
DAN-LON-a5fc619e-3
0.729
JOH-UNI-0e1753c1-5
0.729
SAD-SAT-c989feaa-8
0.544
SAD-SAT-c989feaa-1
0.537
SAD-SAT-c989feaa-7
0.512
SAD-SAT-c989feaa-2
0.512
SAD-SAT-c989feaa-9
0.506
SAD-SAT-c989feaa-5
0.500
SAD-SAT-c989feaa-4
0.494
JOH-UNI-23d9e1b1-1
0.486
SAD-SAT-c989feaa-3
0.469
DAN-LON-a5fc619e-7
0.447
DAN-LON-a5fc619e-1
0.443
MAK-UNK-ec98eaf6-45
0.430
DAN-LON-a5fc619e-9
0.419
ANT-OPE-e67e7ba0-1
0.414
HYO-UNK-1dbfcf16-1
0.411
DAN-LON-a5fc619e-4
0.410
JOH-UNI-0e1753c1-1
0.405
DAN-LON-a5fc619e-6
0.402
DAN-LON-a5fc619e-8
0.400
JOH-UNI-0e1753c1-2
0.400
MAK-UNK-6ca90168-13
0.390
JOH-UNI-0e1753c1-3
0.382
MED-COV-4280ac29-15
0.382
AAR-POS-d2a4d1df-35
0.382
HYO-UNK-49a60884-1
0.382
SAD-SAT-c989feaa-10
0.379
STU-CHA-0be58c98-1
0.371
MAK-UNK-ec98eaf6-46
0.363
MED-COV-4280ac29-13
0.361
JOH-IMS-1436231f-2
0.361
DAN-LON-a5fc619e-2
0.357
MAK-UNK-10799360-33
0.347
MAK-UNK-ec98eaf6-44
0.341
DAN-LON-a5fc619e-10
0.337
SAD-SAT-7d5528d9-6
0.337
SAD-SAT-7d5528d9-35
0.330
SAD-SAT-b55127ae-1
0.329
MED-COV-4280ac29-2
0.323
JOH-IMS-1436231f-6
0.320
AAR-POS-0daf6b7e-29
0.320
AVI-UNI-c9bf710f-1
0.320
ASH-SAT-43770c7d-3
0.318
SEA-TRI-146a67b6-1
0.316
SEA-TRI-9e600f3c-1
0.316
DAN-LON-a5fc619e-5
0.315
AVI-UNI-70b60925-1
0.313
NAM-UNK-f7c77a48-4
0.310
ALP-POS-91609ae9-1
0.307
SAD-SAT-7d5528d9-21
0.302
PAT-MCD-fb0933e5-1
0.299
VLA-UNK-411a133b-1
0.294
SAD-SAT-7d5528d9-7
0.293
MED-COV-4280ac29-6
0.293
MIC-UNK-13557a72-1
0.291
BEN-DND-362d364a-1
0.290
ERI-UCB-a0b0dbcb-12
0.290
SAD-SAT-65574d3f-9
0.287
PAU-WEI-b9b69149-1
0.287
PET-UNK-f92d7c0c-5
0.286
MED-COV-4280ac29-38
0.286
NIC-BIO-a68395b7-4
0.286
PET-UNK-f92d7c0c-4
0.286
MAK-UNK-3f402c2b-3
0.284
MAK-UNK-6ca90168-15
0.284
SAD-SAT-7d5528d9-24
0.283
ALP-POS-91609ae9-2
0.283
JAN-GHE-5a013bed-1
0.282
JAG-UCB-cedd89ab-2
0.282
MAT-POS-6da3605a-2
0.282
SAD-SAT-7d5528d9-42
0.280
NAU-LAT-e1818702-7
0.279
JAG-UCB-a3ef7265-17
0.279
VLA-UCB-05e51b3f-3
0.279
PAU-WEI-b9b69149-3
0.278
NAM-UNK-f7c77a48-3
0.277
AAR-POS-d2a4d1df-24
0.277
JOH-IMS-1436231f-1
0.277
MAT-POS-7174c657-3
0.277
PET-UNK-f92d7c0c-1
0.276
PET-UNK-f92d7c0c-6
0.276
KIM-UNI-2ee5d8f9-1
0.275
JAN-GHE-f4ca5a00-16
0.275
MED-COV-4280ac29-7
0.275
ALP-POS-8b8a49e1-7
0.274
SEA-TRI-2c7f3de8-1
0.274
SAD-SAT-7d5528d9-15
0.274
JAN-GHE-f4ca5a00-14
0.272
JAN-GHE-5a013bed-5
0.272
SAD-SAT-7d5528d9-18
0.271
SAD-SAT-7d5528d9-11
0.271
MAK-UNK-af83ef51-11
0.271
DAR-DIA-3e9bbd81-12
0.270
GIA-UNK-7337c2f3-2
0.270
ALP-POS-8b8a49e1-8
0.270
GIA-UNK-c4371e97-3
0.269
ALP-POS-90e38439-3
0.267
ALP-POS-8b8a49e1-5
0.267