Molecular Properties | |
SMILES: | CCOC(=O)c1c(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)oc2ccccc12 |
MW: | 478.13 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 90.66 |
cLogP: | 5.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-566-161 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | 2020-09-15 |
Ester
Dye 2
MAT-POS-173a45da-2
0.569
NAU-LAT-0543f7f2-5
0.566
CHO-MSK-6e55470f-20
0.560
CHO-MSK-6e55470f-5
0.548
CHO-MSK-6e55470f-8
0.541
CHO-MSK-6e55470f-9
0.541
RAL-THA-6b94ceba-4
0.538
RAL-THA-6b94ceba-1
0.538
RAL-THA-6b94ceba-3
0.538
MAT-POS-c9973a83-1
0.537
CHO-MSK-6e55470f-24
0.534
RAL-THA-6b94ceba-2
0.533
NAU-LAT-0543f7f2-1
0.524
CHO-MSK-6e55470f-21
0.522
CHO-MSK-6e55470f-19
0.518
CHO-MSK-6e55470f-2
0.517
CHO-MSK-6e55470f-7
0.517
NAU-LAT-0543f7f2-2
0.514
CHO-MSK-6e55470f-22
0.513
CHO-MSK-6e55470f-6
0.513
CHO-MSK-6e55470f-13
0.509
CHO-MSK-6e55470f-16
0.509
CHO-MSK-6e55470f-10
0.500
CHO-MSK-6e55470f-11
0.500
CHO-MSK-6e55470f-18
0.500
CHO-MSK-6e55470f-3
0.496
CHO-MSK-6e55470f-14
0.496
WIL-MOD-03b86a88-4
0.486
WIL-MOD-03b86a88-1
0.477
TRY-UNI-2eddb1ff-7
0.477
CHO-MSK-6e55470f-1
0.474
MAT-POS-500ca5bf-1
0.474
CHO-MSK-6e55470f-12
0.471
RAL-THA-6b94ceba-8
0.466
CHO-MSK-6e55470f-23
0.462
NAU-LAT-0543f7f2-6
0.462
RAL-THA-6b94ceba-5
0.461
RAL-THA-6b94ceba-6
0.460
DAR-DIA-23e5a6a0-26
0.459
DAR-DIA-23e5a6a0-30
0.459
WIL-MOD-03b86a88-3
0.456
WIL-MOD-03b86a88-5
0.456
CHO-MSK-6e55470f-4
0.456
NAU-LAT-0543f7f2-7
0.452
DAR-DIA-23e5a6a0-22
0.451
RAL-THA-6b94ceba-13
0.451
DAR-DIA-23e5a6a0-24
0.450
WIL-MOD-03b86a88-2
0.448
RAL-THA-6b94ceba-15
0.447
CHO-MSK-6e55470f-15
0.440
MAT-POS-f42f3716-9
0.439
WIL-MOD-03b86a88-6
0.438
RAL-THA-6b94ceba-7
0.437
DAR-DIA-23e5a6a0-29
0.436
DAR-DIA-23e5a6a0-28
0.431
DAR-DIA-23e5a6a0-25
0.429
RAL-THA-6b94ceba-12
0.429
RAL-THA-6b94ceba-16
0.429
RAL-THA-6b94ceba-14
0.429
DAR-DIA-23e5a6a0-23
0.429
MAT-POS-044491d2-1
0.427
RAL-THA-6b94ceba-10
0.422
MAT-POS-044491d2-4
0.422
MAT-POS-f42f3716-3
0.421
RAL-THA-6b94ceba-9
0.421
MAT-POS-044491d2-7
0.418
MAT-POS-e501d84c-1
0.417
RAL-THA-6b94ceba-11
0.417
MAT-POS-044491d2-6
0.416
MAT-POS-044491d2-3
0.414
TRY-UNI-714a760b-6
0.414
DAR-DIA-23e5a6a0-21
0.414
ALP-POS-f13221e1-4
0.412
MAT-POS-044491d2-2
0.407
DAR-DIA-0587064e-4
0.407
DAR-DIA-0587064e-2
0.407
TRY-UNI-2eddb1ff-2
0.404
EDG-MED-0da5ad92-8
0.404
MAT-POS-f42f3716-1
0.404
MAT-POS-f42f3716-4
0.404
EDJ-MED-e58735b6-1
0.402
MAT-POS-f42f3716-8
0.402
ANN-UNI-98d2bf15-5
0.400
DAR-DIA-0587064e-5
0.400
DAR-DIA-23e5a6a0-27
0.397
DAR-DIA-0587064e-7
0.397
MAT-POS-f42f3716-5
0.397
ENA-ENA-cf881d10-1
0.396
TRY-UNI-714a760b-5
0.396
RAL-THA-1d44ff04-1
0.392
BAR-COM-0f94fc3d-28
0.391
MAT-POS-f42f3716-6
0.389
RAL-THA-901e9a10-6
0.389
DAR-DIA-0587064e-3
0.388
MAT-POS-3b92565d-2
0.382
ALP-POS-3b848b35-1
0.382
RAL-THA-2d450e86-18
0.382
DAR-DIA-0587064e-1
0.381
DAR-DIA-0587064e-8
0.380
RAL-THA-1d44ff04-2
0.380