Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C2COC2)c1 |
MW: | 316.1 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 19.0908832386134 |
IC50 (µM) - RapidFire: | 56.9033370753229 |
Order Status | |
Ordered: | 2020-08-16 |
Synthesis Location: | enamine |
Shipped: | 2020-10-01 |
Oxetanes, thietanes
WIL-MOD-03b86a88-4
0.646
RAL-THA-6b94ceba-5
0.618
RAL-THA-6b94ceba-8
0.603
MAT-POS-c9973a83-1
0.600
RAL-THA-6b94ceba-12
0.590
NAU-LAT-0543f7f2-7
0.582
RAL-THA-6b94ceba-6
0.579
MAT-POS-044491d2-3
0.578
RAL-THA-6b94ceba-15
0.577
DAR-DIA-23e5a6a0-25
0.576
RAL-THA-6b94ceba-16
0.570
MAT-POS-e501d84c-1
0.568
RAL-THA-6b94ceba-7
0.564
RAL-THA-6b94ceba-13
0.564
DAR-DIA-23e5a6a0-26
0.563
MAT-POS-044491d2-1
0.560
NAU-LAT-0543f7f2-5
0.554
MAT-POS-044491d2-4
0.554
WIL-MOD-03b86a88-1
0.553
TRY-UNI-2eddb1ff-7
0.553
DAR-DIA-23e5a6a0-29
0.553
WIL-MOD-03b86a88-3
0.550
RAL-THA-6b94ceba-14
0.550
WIL-MOD-03b86a88-5
0.550
TRY-UNI-2eddb1ff-2
0.548
EDG-MED-0da5ad92-8
0.548
MAT-POS-044491d2-2
0.547
DAR-DIA-23e5a6a0-30
0.547
WIL-MOD-03b86a88-6
0.543
CHO-MSK-6e55470f-1
0.543
MAT-POS-500ca5bf-1
0.543
NAU-LAT-0543f7f2-1
0.541
TRY-UNI-714a760b-6
0.541
DAR-DIA-23e5a6a0-23
0.540
RAL-THA-6b94ceba-1
0.540
MAT-POS-f42f3716-1
0.540
NAU-LAT-0543f7f2-6
0.537
RAL-THA-6b94ceba-9
0.537
RAL-THA-6b94ceba-2
0.534
CHO-MSK-6e55470f-5
0.534
DAR-DIA-23e5a6a0-24
0.534
RAL-THA-6b94ceba-11
0.530
MAT-POS-044491d2-7
0.529
NAU-LAT-0543f7f2-2
0.529
MAT-POS-f42f3716-3
0.528
DAR-DIA-23e5a6a0-27
0.528
CHO-MSK-6e55470f-9
0.527
CHO-MSK-6e55470f-8
0.527
MAT-POS-f42f3716-6
0.523
RAL-THA-6b94ceba-3
0.523
RAL-THA-6b94ceba-4
0.523
ENA-ENA-cf881d10-1
0.518
RAL-THA-6b94ceba-10
0.518
DAR-DIA-23e5a6a0-22
0.516
DAR-DIA-23e5a6a0-21
0.516
ALP-POS-95b75b4d-4
0.512
MAT-POS-f42f3716-5
0.511
MAT-POS-044491d2-6
0.506
DAR-DIA-23e5a6a0-28
0.505
JAN-GHE-83b26c96-11
0.500
CHO-MSK-6e55470f-2
0.500
CHO-MSK-6e55470f-7
0.500
CHO-MSK-6e55470f-20
0.500
CHO-MSK-6e55470f-18
0.495
CHO-MSK-6e55470f-10
0.495
BAR-COM-0f94fc3d-28
0.494
CHO-MSK-6e55470f-13
0.489
MAT-POS-f42f3716-4
0.489
CHO-MSK-6e55470f-19
0.485
MAT-POS-f42f3716-2
0.484
MAT-POS-f42f3716-7
0.484
MIH-UNI-6b9ca91a-1
0.480
CHO-MSK-6e55470f-23
0.480
CHO-MSK-6e55470f-22
0.480
MAT-POS-173a45da-2
0.480
TRY-UNI-714a760b-5
0.479
MIC-UNK-ea979c74-3
0.479
MAT-POS-044491d2-5
0.479
ALP-POS-f13221e1-4
0.475
CHO-MSK-6e55470f-14
0.474
CHO-MSK-6e55470f-3
0.474
RAL-THA-901e9a10-5
0.472
MAT-POS-f42f3716-8
0.468
MAT-POS-f42f3716-9
0.468
TRY-UNI-2eddb1ff-6
0.467
RAL-THA-901e9a10-3
0.467
CHO-MSK-6e55470f-11
0.465
EDG-MED-0da5ad92-7
0.465
NAU-LAT-30527ac5-2
0.465
CHO-MSK-6e55470f-6
0.465
EDJ-MED-e58735b6-1
0.463
EDJ-MED-e58735b6-2
0.462
GAB-REV-70cc3ca5-20
0.462
ALP-POS-95b75b4d-2
0.462
JAN-GHE-83b26c96-13
0.462
RAL-THA-901e9a10-1
0.461
CHO-MSK-6e55470f-21
0.460
CHO-MSK-6e55470f-16
0.460
CHO-MSK-6e55470f-4
0.458
DAR-DIA-0cde14eb-64
0.458