Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 5.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.63296261751072 |
Order Status | |
Ordered: | 2021-03-07 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
MAT-POS-5369c344-4
1.000
DAR-DIA-0587064e-17
0.884
LAU-MED-88a3970a-1
0.872
LAU-MED-88a3970a-2
0.872
LAU-MED-88a3970a-3
0.852
LAU-MED-88a3970a-4
0.852
NAU-LAT-0543f7f2-10
0.826
DAR-DIA-0587064e-10
0.824
MAT-POS-5369c344-2
0.824
MAT-POS-5369c344-1
0.809
DAR-DIA-0587064e-15
0.809
DAR-DIA-0587064e-20
0.798
RAL-THA-05e671eb-19
0.782
DAR-DIA-6a508060-4
0.782
EDJ-MED-e4b030d8-7
0.782
MAT-POS-43fe65f4-1
0.782
KAD-UNI-877d7bed-16
0.781
MAT-POS-5369c344-5
0.768
MAT-POS-5369c344-3
0.766
DAR-DIA-0587064e-19
0.766
KAD-UNI-877d7bed-10
0.765
KAD-UNI-877d7bed-18
0.765
KAD-UNI-877d7bed-12
0.758
DAR-DIA-0587064e-22
0.750
MAT-POS-5369c344-7
0.750
KAD-UNI-877d7bed-2
0.750
KAD-UNI-877d7bed-6
0.743
MAT-POS-5369c344-6
0.735
KAD-UNI-877d7bed-1
0.727
KAD-UNI-877d7bed-8
0.723
EDJ-MED-e4b030d8-4
0.720
DAR-DIA-0587064e-24
0.720
KAD-UNI-877d7bed-15
0.713
KAD-UNI-877d7bed-11
0.702
KAD-UNI-877d7bed-20
0.702
KAD-UNI-877d7bed-19
0.699
KAD-UNI-877d7bed-5
0.695
KAD-UNI-877d7bed-13
0.692
VLA-UCB-05e51b3f-11
0.691
VLA-UCB-50c39ae8-8
0.691
LAU-MED-88a3970a-14
0.688
LAU-MED-88a3970a-13
0.688
KAD-UNI-877d7bed-14
0.686
KAD-UNI-877d7bed-17
0.686
KAD-UNI-877d7bed-4
0.685
RAL-THA-05e671eb-18
0.681
RAL-THA-05e671eb-16
0.678
ALP-UNI-3735e77e-2
0.678
ALP-POS-ce760d3f-1
0.670
KAD-UNI-877d7bed-9
0.670
EDJ-MED-e4b030d8-5
0.667
LAU-MED-88a3970a-8
0.667
LAU-MED-88a3970a-7
0.667
KAD-UNI-877d7bed-7
0.667
DAR-DIA-23e5a6a0-3
0.663
DAR-DIA-23e5a6a0-5
0.663
LAU-MED-88a3970a-5
0.663
LAU-MED-88a3970a-6
0.663
RAL-THA-05e671eb-17
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
DAR-DIA-23e5a6a0-2
0.650
DAR-DIA-23e5a6a0-1
0.644
DAR-DIA-0587064e-13
0.643
LAU-MED-88a3970a-15
0.643
LAU-MED-88a3970a-16
0.643
RAL-THA-05e671eb-20
0.642
ALP-POS-fe871b40-1
0.642
DAR-DIA-6a508060-5
0.640
DAR-DIA-23e5a6a0-4
0.638
DAR-DIA-23e5a6a0-10
0.627
MIC-UNK-08fa0751-1
0.626
DAR-DIA-23e5a6a0-8
0.615
RAL-THA-05e671eb-23
0.613
ALP-POS-fe871b40-5
0.613
PET-UNK-c0891748-8
0.613
EDJ-MED-12f7f543-1
0.613
PET-UNK-c0891748-2
0.613
RAL-THA-05e671eb-25
0.613
DAR-DIA-23e5a6a0-7
0.610
RAL-THA-05e671eb-21
0.604
DAR-DIA-23e5a6a0-6
0.598
DAR-DIA-23e5a6a0-9
0.593
ALP-POS-c86619f0-1
0.589
DAR-DIA-0587064e-16
0.583
ALP-POS-869ac754-2
0.581
KAD-UNI-877d7bed-3
0.579
MAT-POS-b3e365b9-1
0.579
MAT-POS-f7918075-1
0.579
VLA-UCB-1dbca3b4-15
0.579
MAT-POS-b3e365b9-2
0.579
RAL-THA-05e671eb-3
0.562
FRA-DIA-b66f7109-3
0.557
RAL-THA-05e671eb-22
0.553
RAL-THA-05e671eb-2
0.552
ALP-POS-869ac754-1
0.552