Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccccc1OCC(C)NC(=O)c1cc(=O)[nH]c2ccc(F)cc12 |
| MW: | 370.13 |
| Fraction sp3: | 0.2 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 80.42 |
| cLogP: | 2.87 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1239203456 |
| MolPort: | MolPort-047-552-862 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 16.4413907069583 |
| IC50 (µM) - RapidFire: | 27.4743061057264 |
| Trypsin IC50 (µM): | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-40
0.711
MAT-POS-590ac91e-39
0.578
DAR-DIA-8e329c92-6
0.522
DAR-DIA-8e329c92-4
0.500
DAR-DIA-8e329c92-8
0.495
DAR-DIA-8e329c92-5
0.480
DAR-DIA-8e329c92-7
0.461
MAT-POS-590ac91e-42
0.454
MAT-POS-916a2c5a-2
0.447
MAT-POS-590ac91e-32
0.443
MAT-POS-590ac91e-35
0.433
MAT-POS-590ac91e-48
0.427
MAT-POS-590ac91e-30
0.426
ALP-UNI-ed5cdfd2-3
0.418
MAT-POS-590ac91e-47
0.413
MAT-POS-590ac91e-38
0.406
MAT-POS-590ac91e-43
0.396
BEN-DND-7e92b6ca-2
0.388
MAT-POS-590ac91e-37
0.386
MAR-UCB-f313ec4d-4
0.384
MAT-UCB-70f7c0f7-4
0.380
MAT-POS-590ac91e-33
0.375
EDJ-MED-6af13d92-2
0.373
MAT-UCB-70f7c0f7-3
0.362
ADA-UCB-b1b30a00-2
0.362
MAR-UCB-f313ec4d-1
0.360
EDJ-MED-6af13d92-3
0.356
ALP-POS-05819dc4-1
0.352
ADA-UCB-6c2cb422-8
0.351
EDJ-MED-6af13d92-1
0.346
MAT-POS-590ac91e-68
0.343
ALP-POS-fc6c627f-3
0.342
MAT-POS-590ac91e-56
0.337
SAN-PRS-3c4a6997-5
0.333
ERI-UCB-a0b0dbcb-9
0.333
ALP-POS-3fc1724e-1
0.327
ERI-UCB-a0b0dbcb-6
0.327
MAT-POS-35d3f55a-2
0.327
MAT-POS-590ac91e-67
0.321
MAT-POS-590ac91e-54
0.316
BEN-DND-7e92b6ca-1
0.316
MAT-POS-590ac91e-62
0.315
ERI-UCB-a0b0dbcb-5
0.315
MAT-POS-590ac91e-69
0.315
DAR-DIA-8e329c92-10
0.314
KEI-TRE-fa9ada3e-3
0.312
EDJ-MED-edeb0d3a-1
0.312
MAT-POS-590ac91e-64
0.312
EDJ-MED-bbe8e3da-3
0.312
BEN-DND-b89db3f2-5
0.312
DAR-DIA-8e329c92-2
0.311
JOH-UNI-abfda500-3
0.311
MAT-POS-590ac91e-49
0.310
BEN-DND-7e92b6ca-13
0.308
ERI-UCB-a0b0dbcb-8
0.306
BEN-DND-7e92b6ca-5
0.303
MAK-UNK-0d6072ac-1
0.301
MAT-UCB-70f7c0f7-1
0.301
MAT-POS-590ac91e-59
0.300
MAT-POS-590ac91e-36
0.296
ERI-UCB-ce40166b-25
0.294
BEN-DND-7e92b6ca-4
0.293
EDJ-MED-bbe8e3da-2
0.292
EDJ-MED-bbe8e3da-4
0.292
MAT-POS-590ac91e-53
0.292
BEN-DND-7e92b6ca-3
0.291
LON-WEI-4d77710c-14
0.290
MAT-POS-b5746674-78
0.290
LON-WEI-5e7d1b3e-14
0.290
MAT-POS-8fd29122-1
0.289
DAR-DIA-8e329c92-3
0.288
MAT-POS-590ac91e-31
0.288
EDJ-MED-bbe8e3da-1
0.288
LON-WEI-1908424e-9
0.286
ERI-UCB-ce40166b-14
0.284
MAT-POS-590ac91e-46
0.283
DAR-DIA-8e329c92-1
0.283
ALP-POS-3fc1724e-4
0.282
KRI-MAR-d2e3ef86-15
0.280
ALP-UNI-ed5cdfd2-2
0.280
NAU-LAT-a5c7d7cb-7
0.280
EDJ-MED-edeb0d3a-2
0.279
MAT-POS-3b536971-1
0.279
MAT-POS-54c4bf04-1
0.278
ERI-UCB-ce40166b-15
0.276
ADA-UCB-b1b30a00-1
0.275
ALP-UNI-ed5cdfd2-6
0.275
ERI-UCB-ce40166b-18
0.275
ALP-UNI-ed5cdfd2-1
0.273
BEN-DND-7e92b6ca-14
0.272
BEN-DND-7e92b6ca-15
0.271
NAU-LAT-81109c57-1
0.270
MAR-UCB-f313ec4d-3
0.269
MAT-POS-35d3f55a-1
0.269
MAT-POS-3b92565d-4
0.269
MAT-POS-e1b5ac6b-2
0.269
EDJ-MED-d1cd9639-1
0.268
MAT-UCB-70f7c0f7-2
0.267
ALP-UNI-ed5cdfd2-7
0.267
ADA-UCB-6c2cb422-10
0.267