Molecular Properties | |
SMILES: | O=C(O)[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 382.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.52 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-11-23 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
beta-keto/anhydride
Dye 11
MAT-POS-2905de8c-2
0.698
MAT-POS-8e4737f4-1
0.694
DAR-DIA-6a508060-10
0.694
EDJ-MED-e4b030d8-13
0.694
BEN-DND-a7517465-4
0.694
MAT-POS-2905de8c-3
0.694
VLA-UCB-34f3ed0c-8
0.691
EDG-MED-90036822-86
0.690
EDG-MED-971238d3-2
0.682
MAT-POS-9db1e783-2
0.682
VLA-UCB-34f3ed0c-3
0.680
EDG-MED-971238d3-1
0.674
MAT-POS-9db1e783-1
0.674
VLA-UCB-34f3ed0c-21
0.670
VLA-UCB-34f3ed0c-9
0.670
MAT-POS-e6dd326d-2
0.667
MAT-POS-45b13633-2
0.667
PET-UNK-29afea89-2
0.663
EDJ-MED-d08626de-2
0.663
EDG-MED-0e5afe9d-3
0.663
EDJ-MED-d08626de-1
0.663
EDG-MED-971238d3-9
0.659
JAG-UCB-706446eb-3
0.659
RAL-THA-58fba2bc-1
0.659
EDG-MED-971238d3-10
0.659
MAT-POS-45b13633-4
0.659
MAT-POS-2905de8c-1
0.659
EDG-MED-971238d3-4
0.659
MAT-POS-3b97339c-2
0.659
PET-UNK-407a74a5-5
0.659
MAT-POS-e6dd326d-1
0.656
MAT-POS-2bb0cf2b-1
0.656
MAT-POS-45b13633-1
0.656
EDG-MED-971238d3-5
0.656
MIC-UNK-6e9f8a43-2
0.656
MAT-POS-e6dd326d-3
0.652
MAT-POS-45b13633-3
0.652
EDG-MED-90036822-80
0.646
EDG-MED-90036822-29
0.645
RAL-THA-e002e396-1
0.645
EDG-MED-90036822-28
0.645
RAL-THA-e002e396-2
0.645
RAL-THA-e002e396-11
0.645
EDG-MED-971238d3-3
0.641
EDG-MED-90036822-13
0.641
RAL-THA-58fba2bc-3
0.641
EDG-MED-971238d3-6
0.641
MAT-POS-5d65ec79-2
0.638
MAT-POS-f9802937-6
0.638
MAT-POS-e6dd326d-4
0.638
MAT-POS-e6dd326d-9
0.638
MAT-POS-f9802937-5
0.638
EDG-MED-971238d3-7
0.638
EDJ-MED-f893e2a1-8
0.638
PET-UNK-29afea89-1
0.637
DAR-DIA-ecdbc7dd-13
0.634
PET-UNK-824b5c6a-1
0.634
EDG-MED-90036822-2
0.634
EDJ-MED-28ec730d-2
0.632
EDG-MED-90036822-11
0.632
MAT-POS-45b13633-5
0.632
MAT-POS-f9802937-4
0.632
MAT-POS-f9802937-3
0.632
EDG-MED-90036822-10
0.632
MAT-POS-5d65ec79-1
0.632
EDJ-MED-424a8a89-2
0.632
MAT-POS-e6dd326d-5
0.629
EDG-MED-90036822-63
0.628
EDG-MED-90036822-100
0.628
EDG-MED-90036822-21
0.625
EDJ-MED-6d9ff7d0-9
0.625
RAL-THA-e002e396-12
0.625
EDG-MED-90036822-9
0.625
MAT-POS-e6dd326d-11
0.625
MAT-POS-e6dd326d-12
0.625
EDG-MED-90036822-34
0.625
RAL-THA-e002e396-5
0.625
PET-UNK-bcc8fd08-1
0.624
DAR-DIA-e7614d05-1
0.624
ALP-POS-93b3621f-1
0.624
DAR-DIA-e7614d05-2
0.624
DAR-DIA-e7614d05-3
0.624
EDG-MED-971238d3-8
0.621
RAL-THA-e002e396-6
0.621
DAR-DIA-ecdbc7dd-4
0.621
RAL-THA-58fba2bc-2
0.621
EDG-MED-90036822-24
0.621
EDG-MED-4c68219f-12
0.621
EDG-MED-90036822-62
0.619
RAL-THA-e002e396-7
0.619
MAT-POS-e6dd326d-6
0.619
EDG-MED-90036822-47
0.619
EDG-MED-90036822-48
0.619
EDG-MED-90036822-56
0.619
DAR-DIA-0d514e7d-30
0.618
PET-UNK-10c83c8b-1
0.617
EDJ-MED-15e90dfc-7
0.616
FRA-DIA-13af2da5-2
0.615
PET-UNK-3bb57da2-3
0.615
VLA-UCB-551c2366-1
0.615