Molecular Properties | |
SMILES: | CC1(C)Cc2cccc(OCCNC(=O)c3cc(=O)[nH]c4cc(F)ccc34)c2O1 |
MW: | 396.15 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.42 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1245945428 |
Enamine Extended REAL: | s_22____602718____5448680 |
MolPort: | MolPort-047-552-976 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-47
0.747
MAT-POS-590ac91e-53
0.670
MAT-POS-590ac91e-32
0.600
MAT-UCB-70f7c0f7-2
0.464
MAT-POS-590ac91e-38
0.453
MAT-POS-590ac91e-36
0.450
MAT-POS-590ac91e-31
0.422
MAT-UCB-70f7c0f7-1
0.420
MAT-POS-590ac91e-40
0.413
MAT-POS-916a2c5a-2
0.410
ALP-POS-3fc1724e-1
0.400
ALP-POS-05819dc4-1
0.387
EDJ-MED-bbe8e3da-3
0.384
MAT-POS-590ac91e-37
0.382
BEN-DND-7e92b6ca-5
0.369
ALP-UNI-ed5cdfd2-2
0.367
MAT-POS-590ac91e-42
0.366
EDJ-MED-6af13d92-2
0.357
NAU-LAT-a5c7d7cb-7
0.355
MAT-POS-590ac91e-34
0.345
MAT-POS-590ac91e-49
0.345
EDJ-MED-6af13d92-3
0.342
ERI-UCB-ce40166b-14
0.342
EDJ-MED-bbe8e3da-2
0.339
MAT-POS-590ac91e-57
0.336
MAT-POS-590ac91e-50
0.336
EDJ-MED-6af13d92-1
0.333
ERI-UCB-ce40166b-13
0.333
ERI-UCB-ce40166b-15
0.333
MAT-POS-590ac91e-65
0.333
VLA-UNK-eaa804fd-3
0.330
MAT-POS-3b536971-1
0.328
EDJ-MED-edeb0d3a-2
0.328
ERI-UCB-ce40166b-19
0.323
ERI-UCB-ce40166b-18
0.320
ERI-UCB-ce40166b-16
0.320
MAT-POS-590ac91e-35
0.320
MAT-POS-590ac91e-61
0.319
ALP-POS-3fc1724e-2
0.317
ERI-UCB-ce40166b-17
0.317
EDJ-MED-bbe8e3da-4
0.317
MAT-POS-590ac91e-60
0.314
EDJ-MED-bbe8e3da-1
0.312
MAT-POS-590ac91e-63
0.311
ERI-UCB-ce40166b-20
0.310
MAR-UCB-f313ec4d-4
0.307
MAT-POS-590ac91e-39
0.305
MAT-POS-35d3f55a-2
0.304
ADA-UCB-b1b30a00-1
0.302
BEN-DND-7e92b6ca-4
0.296
BEN-DND-7e92b6ca-3
0.295
DAR-DIA-8e329c92-9
0.292
MAT-POS-590ac91e-30
0.289
DAR-DIA-9e4459de-23
0.287
DAR-DIA-9e4459de-21
0.285
DAR-DIA-9e4459de-22
0.285
MAT-POS-590ac91e-41
0.283
DAR-DIA-8e329c92-3
0.281
BEN-DND-7e92b6ca-1
0.280
DAR-DIA-8e329c92-2
0.278
JOH-UNI-abfda500-3
0.278
MAR-TRE-8190bb11-19
0.277
DAR-DIA-8e329c92-5
0.276
DAR-DIA-8e329c92-1
0.276
DAR-DIA-9e4459de-17
0.273
DAR-DIA-8e329c92-10
0.271
DAR-DIA-9e4459de-18
0.269
ALP-POS-19e898d3-1
0.267
DAR-DIA-9e4459de-24
0.267
DAR-DIA-8e329c92-6
0.267
BEN-DND-7e92b6ca-15
0.265
DAR-DIA-8e329c92-4
0.264
DAR-DIA-8e329c92-11
0.264
DAR-DIA-8e329c92-12
0.262
ALP-UNI-ed5cdfd2-7
0.261
DAR-DIA-9e4459de-20
0.261
MAT-POS-54c4bf04-1
0.261
BEN-DND-b89db3f2-4
0.259
MAT-POS-91829f0d-1
0.259
MAR-UCB-f313ec4d-2
0.259
ALP-UNI-ed5cdfd2-3
0.258
DAR-DIA-8e329c92-7
0.258
MAT-POS-8fd29122-1
0.257
ALP-UNI-ed5cdfd2-1
0.256
DAR-DIA-9e4459de-19
0.255
MAT-POS-54c4bf04-2
0.254
DAR-DIA-8e329c92-13
0.254
VLA-UNK-eaa804fd-2
0.252
VLA-UNK-eaa804fd-5
0.252
MAT-POS-590ac91e-33
0.250
DAR-DIA-8e329c92-8
0.248
ALP-POS-fc6c627f-3
0.248
NAU-LAT-56d5284e-4
0.246
NAU-LAT-56d5284e-6
0.246
BEN-DND-7e92b6ca-2
0.244
AAR-UNI-c25c2f1e-37
0.244
BEN-DND-7e92b6ca-14
0.243
MAT-POS-590ac91e-48
0.242
MAT-POS-590ac91e-69
0.242
KRI-MAR-d2e3ef86-15
0.242