Molecular Properties | |
SMILES: | O=C1CN(c2ccc(CNC[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)cc2)CC(=O)N1 |
MW: | 569.18 |
Fraction sp3: | 0.23 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 112.66 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
phthalimide
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
KAD-UNI-cb0f2bbc-1
0.819
MAT-POS-24589f88-15
0.819
KAD-UNI-b13decd3-3
0.750
MAT-POS-24589f88-12
0.750
KAD-UNI-cb0f2bbc-18
0.703
MAT-POS-61f37a1a-9
0.703
MAT-POS-e6dd326d-11
0.682
EDJ-MED-f893e2a1-8
0.679
EDJ-MED-f893e2a1-7
0.675
EDJ-MED-f893e2a1-1
0.672
EDJ-MED-15e90dfc-1
0.672
MAT-POS-a3f7f96a-8
0.672
KAD-UNI-cb0f2bbc-19
0.672
KAD-UNI-cb0f2bbc-11
0.664
MAT-POS-a3f7f96a-7
0.664
KAD-UNI-b13decd3-6
0.664
MAT-POS-5f1400cf-2
0.664
MAT-POS-e6dd326d-13
0.664
MAT-POS-e6dd326d-10
0.664
EDJ-MED-8c98ee63-2
0.661
KAD-UNI-cb0f2bbc-6
0.659
MAT-POS-24589f88-8
0.659
KAD-UNI-b13decd3-10
0.659
EDJ-MED-15e90dfc-4
0.658
MAT-POS-45b13633-2
0.657
MAT-POS-e6dd326d-2
0.657
KAD-UNI-b13decd3-7
0.656
KAD-UNI-b13decd3-11
0.656
KAD-UNI-b13decd3-4
0.656
MAT-POS-7174c657-4
0.656
MAT-POS-24589f88-9
0.656
MAT-POS-7174c657-1
0.650
MAT-POS-24589f88-13
0.650
KAD-UNI-cb0f2bbc-23
0.650
EDJ-MED-15e90dfc-3
0.649
EDJ-MED-424a8a89-1
0.649
KAD-UNI-b13decd3-9
0.648
EDJ-MED-15e90dfc-6
0.647
EDJ-MED-f893e2a1-6
0.647
EDJ-MED-15e90dfc-7
0.643
EDJ-MED-f893e2a1-3
0.643
EDJ-MED-f893e2a1-5
0.643
KAD-UNI-cb0f2bbc-13
0.641
MAT-POS-61f37a1a-15
0.641
MAT-POS-61f37a1a-6
0.635
KAD-UNI-cb0f2bbc-16
0.635
KAD-UNI-cb0f2bbc-15
0.634
MAT-POS-e6dd326d-4
0.634
MAT-POS-e6dd326d-9
0.634
KAD-UNI-cb0f2bbc-22
0.633
MAT-POS-61f37a1a-3
0.633
MAT-POS-a3f7f96a-6
0.633
KAD-UNI-cb0f2bbc-7
0.633
EDJ-MED-8c98ee63-1
0.632
MAT-POS-e6dd326d-6
0.632
EDJ-MED-f893e2a1-2
0.630
KAD-UNI-cb0f2bbc-9
0.630
MAT-POS-a3f7f96a-9
0.630
EDJ-MED-424a8a89-2
0.628
MAT-POS-e6dd326d-8
0.623
MAT-POS-e6dd326d-12
0.623
KAD-UNI-b13decd3-1
0.622
KAD-UNI-cb0f2bbc-20
0.622
MAT-POS-5f1400cf-1
0.622
EDJ-MED-f893e2a1-4
0.622
EDJ-MED-f893e2a1-10
0.622
EDJ-MED-40433386-10
0.621
KAD-UNI-b13decd3-2
0.620
EDJ-MED-15e90dfc-2
0.619
MAT-POS-45b13633-1
0.618
EDG-MED-971238d3-5
0.618
MAT-POS-2bb0cf2b-1
0.618
MAT-POS-e6dd326d-1
0.618
KAD-UNI-b13decd3-12
0.616
MAT-POS-24589f88-7
0.615
KAD-UNI-cb0f2bbc-5
0.615
MAT-POS-e6dd326d-7
0.615
MAT-POS-e6dd326d-5
0.612
MAT-POS-61f37a1a-8
0.611
KAD-UNI-cb0f2bbc-17
0.611
EDJ-MED-f893e2a1-9
0.610
EDJ-MED-40433386-4
0.610
MAT-POS-9db1e783-2
0.609
EDG-MED-971238d3-2
0.609
RAL-THA-58fba2bc-3
0.607
EDG-MED-971238d3-3
0.607
EDG-MED-971238d3-6
0.607
DAR-DIA-ecdbc7dd-16
0.607
KAD-UNI-cb0f2bbc-4
0.606
DAR-DIA-ecdbc7dd-13
0.602
EDG-MED-70ae9412-2
0.602
EDJ-MED-4c7486ba-4
0.602
EDJ-MED-4c7486ba-1
0.602
DAR-DIA-ecdbc7dd-5
0.598
EDJ-MED-15e90dfc-5
0.597
RAL-THA-e002e396-11
0.596
MAT-POS-24589f88-6
0.596
KAD-UNI-cb0f2bbc-8
0.596
KAD-UNI-b13decd3-8
0.595
MAT-POS-61f37a1a-11
0.595