Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 326.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.20235588644035 |
IC50 (µM) - RapidFire: | 1.34684352431561 |
Order Status | |
Ordered: | 2020-09-11 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
VLA-UCB-1dbca3b4-15
RAL-THA-2d450e86-29
1.000
MAT-POS-bbbbc21a-1
1.000
RAL-THA-2d450e86-27
0.685
MIC-UNK-df9dcda8-4
0.667
BEN-DND-d1eb1f41-4
0.662
RAL-THA-2d450e86-24
0.662
PET-UNK-dd44aeb6-1
0.662
RAL-THA-2d450e86-25
0.662
PET-UNK-dd44aeb6-2
0.662
RAL-THA-2d450e86-39
0.658
BEN-DND-d1eb1f41-6
0.654
MIC-UNK-df9dcda8-1
0.637
MIC-UNK-df9dcda8-3
0.628
ALP-POS-6479a3a9-2
0.622
PET-UNK-dd44aeb6-3
0.620
RAL-THA-2d450e86-28
0.620
MIC-UNK-e8d6fb58-3
0.620
MAT-POS-3b92565d-2
0.608
RAL-THA-2d450e86-18
0.608
ALP-POS-3b848b35-1
0.608
ALP-POS-df536be7-6
0.607
ALP-POS-d7944b10-2
0.607
RAL-THA-2d450e86-26
0.605
ALP-POS-d7944b10-16
0.605
RAL-THA-2d450e86-36
0.603
RAL-THA-2d450e86-2
0.603
MIC-UNK-df9dcda8-2
0.595
RAL-THA-2d450e86-22
0.595
MAT-POS-fce787c2-2
0.595
ALP-POS-6479a3a9-3
0.588
ALP-POS-d7944b10-1
0.588
PET-UNK-bb7ffe78-1
0.582
ALP-POS-d7944b10-7
0.580
NAU-LAT-2fed8305-9
0.579
ADA-UCB-6c2cb422-1
0.579
ALP-POS-d7944b10-5
0.576
RAL-THA-2d450e86-30
0.573
MIC-UNK-06e5f114-1
0.573
MAT-POS-afd4d4fd-3
0.571
ALP-POS-d7944b10-10
0.571
RAL-THA-1d44ff04-6
0.571
RAL-THA-2d450e86-14
0.570
RAL-THA-2d450e86-15
0.570
RAL-THA-2d450e86-4
0.566
MAK-UNK-919546f0-4
0.562
RAL-THA-2d450e86-37
0.560
RAL-THA-2d450e86-38
0.560
MIC-UNK-06e5f114-2
0.559
RAL-THA-2d450e86-33
0.558
MAT-POS-afd4d4fd-1
0.557
RAL-THA-2d450e86-20
0.557
ALP-POS-d7944b10-12
0.556
ALP-POS-d7944b10-17
0.556
ALP-POS-d7944b10-6
0.554
VLA-UNK-b9c208fe-2
0.551
RAL-THA-2d450e86-34
0.551
PET-UNK-3c72d439-1
0.550
RAL-THA-2d450e86-11
0.550
RAL-THA-2d450e86-6
0.550
RAL-THA-2d450e86-8
0.550
MIC-UNK-37660950-2
0.549
EDJ-MED-50011917-3
0.549
RAL-THA-1d44ff04-4
0.549
ALP-POS-d7944b10-14
0.548
ALP-POS-d7944b10-15
0.548
ALP-POS-df536be7-5
0.548
PET-UNK-8c422e11-1
0.548
RAL-THA-1d44ff04-3
0.548
NAU-LAT-2fed8305-5
0.544
ALP-POS-d7944b10-8
0.543
MAT-POS-fce787c2-1
0.542
MIC-UNK-16ccb665-3
0.542
PET-UNK-bb7ffe78-3
0.542
DAR-DIA-0587064e-2
0.540
DAR-DIA-0587064e-4
0.540
MAT-POS-23a8a11a-1
0.538
RAL-THA-2d450e86-19
0.537
ALP-POS-d7944b10-13
0.537
MAT-POS-3b92565d-7
0.537
PET-UNK-8c422e11-2
0.535
NAU-LAT-30527ac5-1
0.535
MIC-UNK-08fa0751-2
0.535
MAT-POS-281d2ee9-1
0.535
RAL-THA-1d44ff04-9
0.535
RAL-THA-1d44ff04-11
0.535
RAL-THA-2d450e86-35
0.532
RAL-THA-2d450e86-16
0.532
MIC-UNK-e7433122-1
0.532
MAT-POS-afd4d4fd-2
0.532
ALP-POS-d7944b10-18
0.531
RAL-THA-2d450e86-9
0.531
MAT-POS-3b92565d-4
0.529
MAT-POS-e1b5ac6b-2
0.529
RAL-THA-1d44ff04-5
0.529
RAL-THA-2d450e86-1
0.527
EDJ-MED-50011917-2
0.527
MIC-UNK-37660950-1
0.526
RAL-THA-2d450e86-3
0.526
MIC-UNK-06e5f114-4
0.526
RAL-THA-2d450e86-23
0.525