Molecular Properties | |
SMILES: | COc1cc(Cl)cc2c1OCC[C@@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 368.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 10.2038220799419 |
Order Status | |
Shipped: | 2020-11-04 |
EDJ-MED-e4b030d8-7
EDJ-MED-e4b030d8-7
1.000
MAT-POS-43fe65f4-1
1.000
DAR-DIA-6a508060-4
1.000
DAR-DIA-0587064e-17
0.784
EDJ-MED-e4b030d8-4
0.782
DAR-DIA-0587064e-12
0.782
LAU-MED-88a3970a-1
0.753
LAU-MED-88a3970a-2
0.753
DAR-DIA-0587064e-15
0.753
LAU-MED-88a3970a-3
0.736
LAU-MED-88a3970a-4
0.736
VLA-UCB-05e51b3f-11
0.728
VLA-UCB-50c39ae8-8
0.728
RAL-THA-05e671eb-18
0.721
RAL-THA-05e671eb-17
0.721
ALP-UNI-3735e77e-2
0.718
RAL-THA-05e671eb-16
0.718
NAU-LAT-0543f7f2-10
0.716
DAR-DIA-0587064e-22
0.716
DAR-DIA-0587064e-10
0.713
DAR-DIA-0587064e-19
0.713
ALP-POS-ce760d3f-1
0.709
RAL-THA-05e671eb-23
0.706
DAR-DIA-0587064e-24
0.704
DAR-DIA-23e5a6a0-3
0.698
DAR-DIA-23e5a6a0-5
0.698
DAR-DIA-0587064e-20
0.691
LAU-MED-88a3970a-14
0.688
LAU-MED-88a3970a-13
0.688
EDJ-MED-e4b030d8-5
0.685
DAR-DIA-23e5a6a0-2
0.684
RAL-THA-05e671eb-20
0.678
ALP-POS-fe871b40-1
0.678
DAR-DIA-23e5a6a0-1
0.677
DAR-DIA-23e5a6a0-4
0.670
LAU-MED-88a3970a-8
0.667
LAU-MED-88a3970a-7
0.667
LAU-MED-88a3970a-5
0.663
LAU-MED-88a3970a-6
0.663
LAU-MED-88a3970a-9
0.660
LAU-MED-88a3970a-10
0.660
LAU-MED-88a3970a-17
0.660
LAU-MED-88a3970a-18
0.660
LAU-MED-88a3970a-11
0.653
LAU-MED-88a3970a-12
0.653
LAU-MED-88a3970a-16
0.642
LAU-MED-88a3970a-15
0.642
MIC-UNK-08fa0751-1
0.642
RAL-THA-05e671eb-21
0.640
RAL-THA-05e671eb-25
0.629
EDJ-MED-12f7f543-1
0.629
ALP-POS-fe871b40-5
0.629
DAR-DIA-6a508060-5
0.622
DAR-DIA-0d514e7d-1
0.617
DAR-DIA-0d514e7d-2
0.617
ALP-POS-869ac754-2
0.614
MAT-POS-b3e365b9-2
0.611
VLA-UCB-1dbca3b4-15
0.611
MAT-POS-b3e365b9-1
0.611
MAT-POS-f7918075-1
0.611
DAR-DIA-23e5a6a0-10
0.610
DAR-DIA-23e5a6a0-8
0.598
RAL-THA-05e671eb-3
0.593
DAR-DIA-23e5a6a0-7
0.592
RAL-THA-05e671eb-9
0.591
DAR-DIA-23e5a6a0-9
0.590
RAL-THA-05e671eb-8
0.585
RAL-THA-05e671eb-14
0.585
RAL-THA-05e671eb-22
0.584
RAL-THA-05e671eb-2
0.582
ALP-POS-869ac754-1
0.582
DAR-DIA-23e5a6a0-6
0.581
VLA-UNK-9a7dc93f-4
0.579
FRA-DIA-b66f7109-3
0.569
DAR-DIA-0587064e-16
0.564
ALP-UNI-3735e77e-3
0.564
RAL-THA-05e671eb-11
0.564
RAL-THA-05e671eb-35
0.564
DAR-DIA-0587064e-26
0.561
DAR-DIA-0587064e-13
0.560
RAL-THA-05e671eb-24
0.559
DAR-DIA-6a508060-8
0.558
ALP-POS-d91e0300-1
0.558
RAL-THA-05e671eb-10
0.558
MAT-POS-a13804f0-2
0.558
MAT-POS-a13804f0-3
0.558
ALP-POS-fe871b40-9
0.558
RAL-THA-05e671eb-1
0.556
MAR-UCB-6ab2ec87-4
0.554
MAT-POS-11b63608-1
0.553
RAL-THA-05e671eb-5
0.553
RAL-THA-05e671eb-12
0.553
ADA-UCB-dc2b944c-5
0.553
RAL-THA-05e671eb-13
0.543
ADA-UCB-dc2b944c-7
0.543
RAL-THA-05e671eb-4
0.543
ALF-EVA-5b152d2f-1
0.542
RAL-THA-05e671eb-7
0.542
DAR-DIA-6a508060-3
0.542
RAL-THA-05e671eb-26
0.537