Molecular Properties | |
SMILES: | Cn1nc2c(cc1=O)CN(C(=O)CC1(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc31)CC2 |
MW: | 543.17 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.42 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Filter82_pyridinium
ALP-UNI-3496895b-13
1.000
ALP-UNI-76695c4f-3
0.736
KAD-UNI-8a629cb0-6
0.736
ALP-POS-2da19ca7-3
0.722
ALP-UNI-8e43a71e-8
0.664
ALP-UNI-3496895b-8
0.664
ALP-UNI-76695c4f-10
0.659
KAD-UNI-8a629cb0-31
0.659
ALP-UNI-3496895b-9
0.651
ALP-UNI-76695c4f-8
0.651
KAD-UNI-80f122c8-5
0.651
ALP-UNI-8e43a71e-9
0.651
KAD-UNI-8a629cb0-17
0.651
EDJ-MED-d203f206-37
0.650
EDJ-MED-d203f206-43
0.648
EDJ-MED-d203f206-26
0.648
EDG-MED-ba1ac7b9-5
0.646
ALP-POS-67d5babe-4
0.641
ALP-POS-5bb456a5-3
0.639
ALP-POS-2da19ca7-6
0.639
ALP-POS-5bb456a5-4
0.639
ALP-UNI-76695c4f-2
0.638
ALP-POS-2da19ca7-4
0.638
KAD-UNI-8a629cb0-5
0.638
EDG-MED-ba1ac7b9-15
0.638
EDG-MED-ba1ac7b9-7
0.637
EDG-MED-ba1ac7b9-14
0.636
EDG-MED-ba1ac7b9-25
0.636
KAD-UNI-8a629cb0-8
0.633
EDJ-MED-d203f206-39
0.633
ALP-UNI-76695c4f-5
0.633
EDG-MED-ba1ac7b9-28
0.633
MAT-POS-45b13633-5
0.632
EDG-MED-ba1ac7b9-13
0.632
KAD-UNI-8a629cb0-33
0.628
ALP-POS-5bb456a5-10
0.628
ALP-UNI-3496895b-7
0.628
EDJ-MED-d203f206-36
0.628
ALP-POS-2da19ca7-1
0.628
ALP-UNI-8e43a71e-7
0.628
ALP-POS-5bb456a5-9
0.628
EDJ-MED-d203f206-40
0.628
RAL-THA-58fba2bc-1
0.626
EDG-MED-971238d3-10
0.626
MAT-POS-45b13633-4
0.626
EDJ-MED-d203f206-9
0.625
MAT-POS-5d65ec79-2
0.624
MAT-POS-f9802937-5
0.624
MAT-POS-f9802937-6
0.624
KAD-UNI-8a629cb0-15
0.623
ALP-UNI-76695c4f-7
0.623
ALP-UNI-3496895b-6
0.623
ALP-UNI-8e43a71e-6
0.623
ALP-POS-5bb456a5-5
0.623
EDG-MED-ba1ac7b9-4
0.623
KAD-UNI-80f122c8-4
0.623
ALP-POS-2da19ca7-5
0.623
ALP-POS-5bb456a5-6
0.623
ALP-UNI-76695c4f-6
0.622
ALP-UNI-8e43a71e-3
0.622
KAD-UNI-80f122c8-2
0.622
ALP-UNI-3496895b-3
0.622
KAD-UNI-8a629cb0-10
0.622
EDJ-MED-d203f206-35
0.621
EDJ-MED-d203f206-25
0.620
MAT-POS-f9802937-4
0.619
MAT-POS-5d65ec79-1
0.619
MAT-POS-f9802937-3
0.619
EDG-MED-ba1ac7b9-2
0.616
EDG-MED-ba1ac7b9-32
0.615
KAD-UNI-8a629cb0-21
0.615
ALP-UNI-8e43a71e-10
0.615
ALP-UNI-76695c4f-9
0.615
EDJ-MED-d203f206-10
0.615
ALP-UNI-3496895b-10
0.615
EDJ-MED-d203f206-32
0.612
ALP-UNI-8e43a71e-11
0.612
ALP-UNI-3496895b-11
0.612
EDG-MED-ba1ac7b9-1
0.611
EDJ-MED-d203f206-27
0.609
KAD-UNI-8a629cb0-42
0.606
ALP-POS-5bb456a5-7
0.606
ALP-POS-5bb456a5-8
0.606
ALP-POS-2da19ca7-2
0.606
EDG-MED-ba1ac7b9-33
0.606
EDG-MED-ba1ac7b9-26
0.606
EDG-MED-ba1ac7b9-27
0.606
ALP-POS-67d5babe-3
0.604
EDG-MED-ba1ac7b9-31
0.602
EDJ-MED-d203f206-38
0.600
KAD-UNI-8a629cb0-7
0.597
KAD-UNI-80f122c8-3
0.597
ALP-UNI-76695c4f-4
0.597
EDJ-MED-d203f206-22
0.597
EDJ-MED-d203f206-41
0.597
EDJ-MED-d203f206-8
0.595
CHO-MSK-a31cca77-2
0.594
EDJ-MED-d203f206-19
0.594
EDJ-MED-d203f206-15
0.591
EDG-MED-ba1ac7b9-18
0.590