Molecule Details
| Molecular Properties | |
| SMILES: | CN(CCO)c1ccc(CNC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cn1 |
| MW: | 531.2 |
| Fraction sp3: | 0.28 |
| HBA: | 7 |
| HBD: | 3 |
| Rotatable Bonds: | 9 |
| TPSA: | 99.61 |
| cLogP: | 4.16 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MAT-POS-5f1400cf-2
1.000
EDJ-MED-8c98ee63-2
0.711
EDJ-MED-15e90dfc-4
0.708
MAT-POS-24589f88-8
0.705
KAD-UNI-cb0f2bbc-6
0.705
EDJ-MED-f893e2a1-8
0.701
KAD-UNI-b13decd3-3
0.696
MAT-POS-24589f88-12
0.696
KAD-UNI-cb0f2bbc-18
0.695
MAT-POS-61f37a1a-9
0.695
KAD-UNI-b13decd3-10
0.692
MAT-POS-e6dd326d-13
0.685
MAT-POS-7174c657-1
0.683
KAD-UNI-cb0f2bbc-23
0.683
MAT-POS-24589f88-13
0.683
MAT-POS-45b13633-2
0.679
MAT-POS-e6dd326d-2
0.679
RAL-THA-58fba2bc-3
0.673
EDG-MED-971238d3-3
0.673
MAT-POS-e6dd326d-11
0.673
MAT-POS-24589f88-7
0.672
KAD-UNI-cb0f2bbc-5
0.672
EDJ-MED-15e90dfc-3
0.670
MAT-POS-e6dd326d-10
0.670
EDJ-MED-424a8a89-1
0.670
EDJ-MED-f893e2a1-10
0.670
MAT-POS-61f37a1a-6
0.667
KAD-UNI-cb0f2bbc-16
0.667
KAD-UNI-cb0f2bbc-2
0.664
EDJ-MED-f893e2a1-1
0.664
EDJ-MED-15e90dfc-1
0.664
EDJ-MED-f893e2a1-3
0.664
EDJ-MED-15e90dfc-7
0.664
EDJ-MED-424a8a89-2
0.664
MAT-POS-a3f7f96a-9
0.661
KAD-UNI-cb0f2bbc-9
0.661
MAT-POS-7174c657-4
0.661
MAT-POS-24589f88-9
0.661
KAD-UNI-b13decd3-4
0.661
MAT-POS-e6dd326d-4
0.655
MAT-POS-e6dd326d-9
0.655
EDJ-MED-f893e2a1-7
0.653
EDJ-MED-8c98ee63-1
0.652
MAT-POS-e6dd326d-6
0.652
KAD-UNI-cb0f2bbc-19
0.651
MAT-POS-a3f7f96a-8
0.651
KAD-UNI-cb0f2bbc-14
0.648
MAT-POS-61f37a1a-10
0.648
KAD-UNI-b13decd3-11
0.648
KAD-UNI-b13decd3-7
0.648
MAT-POS-e6dd326d-5
0.646
MAT-POS-e6dd326d-12
0.643
KAD-UNI-b13decd3-9
0.639
KAD-UNI-cb0f2bbc-7
0.638
MAT-POS-a3f7f96a-6
0.638
EDJ-MED-f893e2a1-2
0.636
EDJ-MED-f893e2a1-5
0.635
EDJ-MED-4c7486ba-1
0.635
EDJ-MED-4c7486ba-4
0.635
EDG-MED-70ae9412-2
0.635
MAT-POS-e6dd326d-7
0.635
KAD-UNI-b13decd3-12
0.634
MAT-POS-a3f7f96a-7
0.630
KAD-UNI-cb0f2bbc-11
0.630
MAT-POS-9db1e783-2
0.630
EDG-MED-971238d3-2
0.630
EDJ-MED-40433386-4
0.629
MAT-POS-e6dd326d-8
0.628
MAT-POS-61f37a1a-8
0.628
KAD-UNI-cb0f2bbc-17
0.628
EDG-MED-971238d3-6
0.627
EDJ-MED-f893e2a1-4
0.627
EDJ-MED-40433386-10
0.626
KAD-UNI-cb0f2bbc-15
0.626
EDG-MED-971238d3-8
0.625
EDJ-MED-15e90dfc-6
0.625
MAT-POS-e6dd326d-1
0.624
EDG-MED-971238d3-5
0.624
MAT-POS-45b13633-1
0.624
MAT-POS-2bb0cf2b-1
0.624
KAD-UNI-cb0f2bbc-21
0.623
MAT-POS-24589f88-10
0.623
MAT-POS-e6dd326d-14
0.622
MAT-POS-e6dd326d-3
0.622
MAT-POS-45b13633-3
0.622
MAT-POS-61f37a1a-15
0.620
KAD-UNI-cb0f2bbc-13
0.620
MAT-POS-f9802937-4
0.619
MAT-POS-5d65ec79-1
0.619
MAT-POS-f9802937-3
0.619
RAL-THA-e002e396-11
0.616
MAT-POS-24589f88-15
0.615
KAD-UNI-cb0f2bbc-1
0.615
EDJ-MED-15e90dfc-5
0.615
EDG-MED-971238d3-9
0.613
JAG-UCB-706446eb-3
0.613
MAT-POS-61f37a1a-11
0.612
KAD-UNI-b13decd3-2
0.612
KAD-UNI-b13decd3-8
0.612
DAR-DIA-ecdbc7dd-16
0.612