Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2c(OCc3ccncc3)cc(Cl)cc21 |
MW: | 445.12 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 73.34 |
cLogP: | 5.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.45443863593956 |
Order Status | |
Ordered: | 2021-03-07 |
Synthesis Location: | enamine |
Shipped: | 2021-03-31 |
EDJ-MED-e4b030d8-7
MAT-POS-5369c344-3
0.851
DAR-DIA-0587064e-19
0.851
MAT-POS-5369c344-6
0.816
MAT-POS-5369c344-5
0.778
MAT-POS-5369c344-4
0.750
DAR-DIA-0587064e-12
0.750
LAU-MED-88a3970a-3
0.745
LAU-MED-88a3970a-4
0.745
DAR-DIA-0587064e-22
0.743
MAT-POS-5369c344-1
0.742
LAU-MED-88a3970a-2
0.742
DAR-DIA-0587064e-15
0.742
LAU-MED-88a3970a-1
0.742
DAR-DIA-0587064e-17
0.735
EDJ-MED-e4b030d8-7
0.716
DAR-DIA-6a508060-4
0.716
RAL-THA-05e671eb-19
0.716
MAT-POS-43fe65f4-1
0.716
DAR-DIA-0587064e-24
0.714
DAR-DIA-0587064e-10
0.706
MAT-POS-5369c344-2
0.706
DAR-DIA-0587064e-20
0.702
KAD-UNI-877d7bed-19
0.694
NAU-LAT-0543f7f2-10
0.692
KAD-UNI-877d7bed-10
0.676
KAD-UNI-877d7bed-15
0.676
KAD-UNI-877d7bed-16
0.673
KAD-UNI-877d7bed-1
0.673
KAD-UNI-877d7bed-12
0.670
EDJ-MED-e4b030d8-4
0.663
KAD-UNI-877d7bed-18
0.661
KAD-UNI-877d7bed-13
0.658
KAD-UNI-877d7bed-8
0.655
VLA-UCB-50c39ae8-8
0.654
VLA-UCB-05e51b3f-11
0.654
KAD-UNI-877d7bed-2
0.649
KAD-UNI-877d7bed-5
0.646
KAD-UNI-877d7bed-6
0.643
KAD-UNI-877d7bed-20
0.637
KAD-UNI-877d7bed-17
0.637
KAD-UNI-877d7bed-14
0.637
KAD-UNI-877d7bed-11
0.637
KAD-UNI-877d7bed-7
0.636
RAL-THA-05e671eb-18
0.626
KAD-UNI-877d7bed-9
0.624
RAL-THA-05e671eb-16
0.622
ALP-UNI-3735e77e-2
0.622
ALP-POS-ce760d3f-1
0.616
DAR-DIA-23e5a6a0-5
0.615
DAR-DIA-23e5a6a0-3
0.615
EDJ-MED-e4b030d8-5
0.614
RAL-THA-05e671eb-17
0.610
DAR-DIA-23e5a6a0-2
0.604
LAU-MED-88a3970a-8
0.600
LAU-MED-88a3970a-7
0.600
KAD-UNI-877d7bed-4
0.598
DAR-DIA-23e5a6a0-1
0.598
LAU-MED-88a3970a-5
0.596
LAU-MED-88a3970a-6
0.596
EDJ-MED-12f7f543-1
0.596
PET-UNK-c0891748-2
0.596
ALP-POS-fe871b40-5
0.596
RAL-THA-05e671eb-25
0.596
PET-UNK-c0891748-8
0.596
MIC-UNK-08fa0751-1
0.594
DAR-DIA-23e5a6a0-4
0.593
RAL-THA-05e671eb-20
0.592
ALP-POS-fe871b40-1
0.592
LAU-MED-88a3970a-13
0.589
LAU-MED-88a3970a-14
0.589
LAU-MED-88a3970a-10
0.579
LAU-MED-88a3970a-9
0.579
LAU-MED-88a3970a-15
0.579
LAU-MED-88a3970a-16
0.579
LAU-MED-88a3970a-17
0.579
LAU-MED-88a3970a-18
0.579
DAR-DIA-6a508060-5
0.578
LAU-MED-88a3970a-11
0.574
LAU-MED-88a3970a-12
0.574
DAR-DIA-0587064e-18
0.573
RAL-THA-05e671eb-21
0.571
DAR-DIA-23e5a6a0-10
0.568
DAR-DIA-23e5a6a0-9
0.565
RAL-THA-05e671eb-23
0.564
DAR-DIA-23e5a6a0-8
0.558
DAR-DIA-23e5a6a0-7
0.553
ALP-POS-869ac754-2
0.550
FRA-DIA-b66f7109-3
0.545
ALP-POS-c86619f0-1
0.544
DAR-DIA-23e5a6a0-6
0.543
MAT-POS-b3e365b9-2
0.534
VLA-UCB-1dbca3b4-15
0.534
MAT-POS-b3e365b9-1
0.534
MAT-POS-f7918075-1
0.534
KAD-UNI-877d7bed-3
0.533
DAR-DIA-0587064e-26
0.525
ALP-POS-869ac754-1
0.524
RAL-THA-05e671eb-2
0.524
RYA-UNI-6d7114fd-1
0.524
DAR-DIA-0587064e-13
0.523