Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2n[nH]c3ccccc23)c1 |
MW: | 406.12 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.9 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-09-22 |
CHO-MSK-6e55470f-20
0.614
RAL-THA-6b94ceba-4
0.611
NAU-LAT-0543f7f2-5
0.609
RAL-THA-6b94ceba-2
0.604
RAL-THA-6b94ceba-1
0.594
RAL-THA-6b94ceba-3
0.594
CHO-MSK-6e55470f-24
0.582
MAT-POS-c9973a83-1
0.580
CHO-MSK-6e55470f-6
0.577
CHO-MSK-6e55470f-5
0.571
CHO-MSK-6e55470f-17
0.569
NAU-LAT-0543f7f2-1
0.562
NAU-LAT-0543f7f2-2
0.551
CHO-MSK-6e55470f-8
0.548
CHO-MSK-6e55470f-9
0.548
CHO-MSK-6e55470f-13
0.544
CHO-MSK-6e55470f-21
0.542
CHO-MSK-6e55470f-19
0.538
WIL-MOD-03b86a88-4
0.536
CHO-MSK-6e55470f-10
0.533
CHO-MSK-6e55470f-22
0.533
CHO-MSK-6e55470f-14
0.528
CHO-MSK-6e55470f-16
0.528
WIL-MOD-03b86a88-1
0.525
TRY-UNI-2eddb1ff-7
0.525
CHO-MSK-6e55470f-2
0.523
DAR-DIA-23e5a6a0-30
0.520
MAT-POS-500ca5bf-1
0.519
CHO-MSK-6e55470f-1
0.519
CHO-MSK-6e55470f-18
0.518
CHO-MSK-6e55470f-3
0.514
DAR-DIA-23e5a6a0-24
0.510
CHO-MSK-6e55470f-7
0.509
DAR-DIA-23e5a6a0-26
0.505
CHO-MSK-6e55470f-11
0.505
DAR-DIA-23e5a6a0-22
0.495
CHO-MSK-6e55470f-23
0.491
CHO-MSK-6e55470f-12
0.487
DAR-DIA-23e5a6a0-28
0.486
RAL-THA-6b94ceba-8
0.485
RAL-THA-6b94ceba-10
0.480
WIL-MOD-03b86a88-2
0.480
RAL-THA-6b94ceba-5
0.479
MAT-POS-e501d84c-1
0.475
CHO-MSK-6e55470f-4
0.471
RAL-THA-6b94ceba-13
0.469
DAR-DIA-23e5a6a0-29
0.466
ENA-ENA-cf881d10-1
0.465
RAL-THA-6b94ceba-9
0.465
CHO-MSK-6e55470f-15
0.465
RAL-THA-6b94ceba-6
0.463
RAL-THA-6b94ceba-11
0.460
RAL-THA-6b94ceba-14
0.459
DAR-DIA-23e5a6a0-23
0.457
DAR-DIA-23e5a6a0-25
0.457
WIL-MOD-03b86a88-6
0.455
NAU-LAT-0543f7f2-7
0.455
MAT-POS-f42f3716-9
0.454
RAL-THA-6b94ceba-7
0.454
EDG-MED-0da5ad92-8
0.451
TRY-UNI-2eddb1ff-2
0.451
NAU-LAT-0543f7f2-6
0.450
RAL-THA-6b94ceba-15
0.449
TRY-UNI-714a760b-6
0.446
RAL-THA-6b94ceba-16
0.444
WIL-MOD-03b86a88-3
0.444
WIL-MOD-03b86a88-5
0.444
RAL-THA-6b94ceba-12
0.444
DAR-DIA-23e5a6a0-21
0.440
MAT-POS-044491d2-4
0.437
DAR-DIA-23e5a6a0-27
0.435
MAT-POS-f42f3716-3
0.435
DAR-DIA-0587064e-2
0.434
MAT-POS-044491d2-2
0.434
EDJ-MED-e58735b6-1
0.432
MAT-POS-044491d2-6
0.430
RAL-THA-1d44ff04-1
0.429
MAT-POS-f42f3716-6
0.429
MAT-POS-044491d2-1
0.429
MAT-POS-044491d2-3
0.429
RAL-THA-1d44ff04-2
0.429
DAR-DIA-0587064e-5
0.426
MAT-POS-044491d2-5
0.423
DAR-DIA-0587064e-7
0.422
DAR-DIA-0587064e-4
0.421
MAT-POS-044491d2-7
0.419
BAR-COM-0f94fc3d-28
0.417
MAT-POS-f42f3716-1
0.417
RAL-THA-901e9a10-6
0.415
RAL-THA-901e9a10-5
0.415
MAT-POS-f42f3716-8
0.414
DAR-DIA-0587064e-3
0.413
TRY-UNI-714a760b-5
0.411
MAT-POS-f42f3716-5
0.409
ALP-POS-3b848b35-1
0.408
RAL-THA-2d450e86-18
0.408
MAT-POS-3b92565d-2
0.408
RAL-THA-901e9a10-1
0.406
MAT-POS-3b92565d-8
0.404
MAT-POS-f42f3716-4
0.404