Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2c(OCC3CC3)cc(Cl)cc21 |
MW: | 408.12 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 5.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.48799991607666 |
Order Status | |
Ordered: | 2021-03-07 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
EDJ-MED-e4b030d8-7
DAR-DIA-0587064e-15
1.000
DAR-DIA-0587064e-12
0.809
MAT-POS-5369c344-4
0.809
LAU-MED-88a3970a-2
0.800
LAU-MED-88a3970a-1
0.800
DAR-DIA-0587064e-17
0.791
LAU-MED-88a3970a-3
0.783
LAU-MED-88a3970a-4
0.783
DAR-DIA-0587064e-10
0.758
MAT-POS-5369c344-2
0.758
DAR-DIA-0587064e-19
0.758
MAT-POS-5369c344-3
0.758
EDJ-MED-e4b030d8-7
0.753
DAR-DIA-6a508060-4
0.753
RAL-THA-05e671eb-19
0.753
MAT-POS-43fe65f4-1
0.753
NAU-LAT-0543f7f2-10
0.742
DAR-DIA-0587064e-22
0.742
MAT-POS-5369c344-7
0.742
MAT-POS-5369c344-5
0.742
DAR-DIA-0587064e-20
0.735
MAT-POS-5369c344-6
0.727
KAD-UNI-877d7bed-1
0.720
KAD-UNI-877d7bed-16
0.720
DAR-DIA-0587064e-24
0.713
EDJ-MED-e4b030d8-4
0.713
KAD-UNI-877d7bed-9
0.710
KAD-UNI-877d7bed-2
0.709
KAD-UNI-877d7bed-15
0.706
KAD-UNI-877d7bed-10
0.706
KAD-UNI-877d7bed-18
0.706
KAD-UNI-877d7bed-13
0.702
KAD-UNI-877d7bed-12
0.699
KAD-UNI-877d7bed-8
0.699
KAD-UNI-877d7bed-11
0.695
KAD-UNI-877d7bed-20
0.695
KAD-UNI-877d7bed-19
0.692
KAD-UNI-877d7bed-6
0.686
VLA-UCB-50c39ae8-8
0.684
VLA-UCB-05e51b3f-11
0.684
KAD-UNI-877d7bed-14
0.679
KAD-UNI-877d7bed-17
0.679
DAR-DIA-23e5a6a0-5
0.673
DAR-DIA-23e5a6a0-3
0.673
KAD-UNI-877d7bed-5
0.673
RAL-THA-05e671eb-16
0.670
ALP-UNI-3735e77e-2
0.670
DAR-DIA-23e5a6a0-1
0.670
ALP-POS-ce760d3f-1
0.663
DAR-DIA-23e5a6a0-2
0.660
EDJ-MED-e4b030d8-5
0.660
RAL-THA-05e671eb-17
0.656
RAL-THA-05e671eb-18
0.656
ALP-POS-fe871b40-1
0.653
RAL-THA-05e671eb-20
0.653
LAU-MED-88a3970a-7
0.643
LAU-MED-88a3970a-8
0.643
LAU-MED-88a3970a-6
0.639
LAU-MED-88a3970a-5
0.639
LAU-MED-88a3970a-9
0.636
DAR-DIA-0587064e-14
0.636
LAU-MED-88a3970a-10
0.636
LAU-MED-88a3970a-15
0.636
MIC-UNK-08fa0751-1
0.636
LAU-MED-88a3970a-16
0.636
DAR-DIA-23e5a6a0-4
0.632
KAD-UNI-877d7bed-7
0.632
LAU-MED-88a3970a-11
0.630
LAU-MED-88a3970a-13
0.630
LAU-MED-88a3970a-12
0.630
LAU-MED-88a3970a-14
0.630
DAR-DIA-23e5a6a0-10
0.621
KAD-UNI-877d7bed-4
0.621
LAU-MED-88a3970a-18
0.620
LAU-MED-88a3970a-17
0.620
DAR-DIA-6a508060-5
0.618
DAR-DIA-23e5a6a0-8
0.610
DAR-DIA-23e5a6a0-6
0.607
PET-UNK-c0891748-8
0.606
ALP-POS-fe871b40-5
0.606
RAL-THA-05e671eb-25
0.606
PET-UNK-c0891748-2
0.606
EDJ-MED-12f7f543-1
0.606
DAR-DIA-23e5a6a0-7
0.604
KAD-UNI-877d7bed-3
0.600
RAL-THA-05e671eb-21
0.598
RAL-THA-05e671eb-23
0.589
MAT-POS-b3e365b9-2
0.589
VLA-UCB-1dbca3b4-15
0.589
MAT-POS-b3e365b9-1
0.589
MAT-POS-f7918075-1
0.589
ALP-POS-c86619f0-1
0.583
ALP-POS-869ac754-2
0.574
DAR-DIA-23e5a6a0-9
0.573
RYA-UNI-6d7114fd-1
0.562
ALP-POS-869ac754-1
0.562
RAL-THA-05e671eb-2
0.562
VLA-UNK-9a7dc93f-4
0.560
RAL-THA-05e671eb-3
0.557
FRA-DIA-b66f7109-3
0.551