Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1 |
MW: | 332.09 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-565-180 |
Activity Data | |
IC50 (µM) - Fluorescence: | 15.9533573095944 |
IC50 (µM) - RapidFire: | 15.281680336001 |
Order Status | |
Ordered: | 2020-08-16 |
Synthesis Location: | enamine |
Shipped: | 2020-09-15 |
Oxetanes, thietanes
DAR-DIA-23e5a6a0-26
0.707
WIL-MOD-03b86a88-1
0.700
TRY-UNI-2eddb1ff-7
0.700
DAR-DIA-23e5a6a0-30
0.691
MAT-POS-c9973a83-1
0.676
DAR-DIA-23e5a6a0-24
0.675
DAR-DIA-23e5a6a0-22
0.651
WIL-MOD-03b86a88-2
0.646
DAR-DIA-23e5a6a0-28
0.636
NAU-LAT-0543f7f2-5
0.602
NAU-LAT-0543f7f2-1
0.588
CHO-MSK-6e55470f-9
0.587
RAL-THA-6b94ceba-4
0.586
CHO-MSK-6e55470f-1
0.585
MAT-POS-500ca5bf-1
0.585
RAL-THA-6b94ceba-2
0.580
CHO-MSK-6e55470f-5
0.580
NAU-LAT-0543f7f2-2
0.575
CHO-MSK-6e55470f-8
0.570
RAL-THA-6b94ceba-6
0.570
RAL-THA-6b94ceba-3
0.568
DAR-DIA-23e5a6a0-25
0.568
RAL-THA-6b94ceba-1
0.568
DAR-DIA-23e5a6a0-29
0.563
RAL-THA-6b94ceba-7
0.556
RAL-THA-6b94ceba-8
0.554
DAR-DIA-23e5a6a0-23
0.551
RAL-THA-6b94ceba-5
0.549
RAL-THA-6b94ceba-15
0.549
RAL-THA-6b94ceba-12
0.542
RAL-THA-6b94ceba-16
0.542
WIL-MOD-03b86a88-3
0.542
RAL-THA-6b94ceba-14
0.542
CHO-MSK-6e55470f-20
0.542
MAT-POS-e501d84c-1
0.541
TRY-UNI-2eddb1ff-2
0.539
EDG-MED-0da5ad92-8
0.539
CHO-MSK-6e55470f-10
0.537
RAL-THA-6b94ceba-13
0.537
MAT-POS-173a45da-2
0.536
WIL-MOD-03b86a88-6
0.536
NAU-LAT-0543f7f2-7
0.536
CHO-MSK-6e55470f-18
0.535
CHO-MSK-6e55470f-13
0.532
NAU-LAT-0543f7f2-6
0.529
DAR-DIA-23e5a6a0-21
0.527
CHO-MSK-6e55470f-19
0.526
CHO-MSK-6e55470f-2
0.525
CHO-MSK-6e55470f-7
0.525
WIL-MOD-03b86a88-5
0.524
RAL-THA-6b94ceba-11
0.523
RAL-THA-901e9a10-1
0.523
CHO-MSK-6e55470f-22
0.520
RAL-THA-901e9a10-5
0.517
MAT-POS-044491d2-1
0.517
MAT-POS-044491d2-3
0.517
RAL-THA-901e9a10-6
0.517
CHO-MSK-6e55470f-14
0.515
CHO-MSK-6e55470f-3
0.515
TRY-UNI-714a760b-6
0.513
RAL-THA-6b94ceba-9
0.512
ENA-ENA-cf881d10-1
0.511
RAL-THA-6b94ceba-10
0.511
MAT-POS-044491d2-4
0.511
RAL-THA-901e9a10-2
0.511
CHO-MSK-6e55470f-4
0.509
MAT-POS-044491d2-2
0.505
DAR-DIA-23e5a6a0-27
0.505
MAT-POS-f42f3716-3
0.505
CHO-MSK-6e55470f-6
0.505
MAT-POS-f42f3716-1
0.500
CHO-MSK-6e55470f-16
0.500
CHO-MSK-6e55470f-21
0.500
MAT-POS-f42f3716-6
0.500
RAL-THA-901e9a10-4
0.495
RAL-THA-901e9a10-3
0.495
TRY-UNI-2eddb1ff-6
0.495
CHO-MSK-6e55470f-11
0.490
CHO-MSK-6e55470f-23
0.490
MAT-POS-f42f3716-5
0.489
MAT-POS-044491d2-7
0.489
BAR-COM-0f94fc3d-28
0.489
CHO-MSK-6e55470f-17
0.486
MAT-POS-044491d2-6
0.484
EDJ-MED-e58735b6-1
0.476
CHO-MSK-6e55470f-15
0.474
CHO-MSK-6e55470f-24
0.472
CHO-MSK-6e55470f-12
0.472
MAT-POS-f42f3716-4
0.468
RAL-THA-901e9a10-7
0.467
BRU-LEF-c49414a7-1
0.467
MAT-POS-f42f3716-9
0.464
MAT-POS-f42f3716-7
0.463
MAT-POS-f42f3716-2
0.463
RAL-THA-901e9a10-8
0.462
MAT-POS-044491d2-5
0.459
TRY-UNI-714a760b-5
0.455
JAN-GHE-83b26c96-11
0.455
ALP-POS-95b75b4d-4
0.453
ANN-UNI-98d2bf15-5
0.453