Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C)OC(=O)NC(CCO)CNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 554.23 |
| Fraction sp3: | 0.41 |
| HBA: | 7 |
| HBD: | 4 |
| Rotatable Bonds: | 9 |
| TPSA: | 121.81 |
| cLogP: | 4.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 2.16806118314178 |
| Order Status | |
| Shipped: | 2021-04-28 |
carbamate, T-boc Protected
carbamate include di-substitued N
Long aliphatic chain
MAT-POS-61f37a1a-1
1.000
EDJ-MED-f893e2a1-8
0.694
MAT-POS-e6dd326d-10
0.679
EDJ-MED-424a8a89-1
0.679
EDJ-MED-15e90dfc-3
0.679
MAT-POS-e6dd326d-6
0.676
MAT-POS-45b13633-2
0.673
MAT-POS-e6dd326d-2
0.673
MAT-POS-e6dd326d-11
0.667
EDJ-MED-f893e2a1-10
0.664
MAT-POS-e6dd326d-13
0.664
EDJ-MED-8c98ee63-1
0.661
EDJ-MED-f893e2a1-3
0.658
EDJ-MED-15e90dfc-7
0.658
EDJ-MED-424a8a89-2
0.658
MAT-POS-e6dd326d-5
0.655
EDJ-MED-f893e2a1-4
0.650
MAT-POS-e6dd326d-9
0.649
MAT-POS-e6dd326d-4
0.649
MAT-POS-e6dd326d-7
0.643
MAT-POS-e6dd326d-8
0.637
MAT-POS-e6dd326d-12
0.637
EDG-MED-971238d3-3
0.636
RAL-THA-58fba2bc-3
0.636
MAT-POS-61f37a1a-4
0.629
KAD-UNI-cb0f2bbc-3
0.629
RAL-THA-e002e396-11
0.625
EDJ-MED-40433386-4
0.624
EDG-MED-971238d3-2
0.624
MAT-POS-9db1e783-2
0.624
MAT-POS-24589f88-12
0.620
KAD-UNI-b13decd3-3
0.620
EDJ-MED-f893e2a1-6
0.620
EDJ-MED-f893e2a1-7
0.620
EDJ-MED-8c98ee63-2
0.620
EDJ-MED-15e90dfc-6
0.620
EDG-MED-971238d3-5
0.618
MAT-POS-45b13633-1
0.618
MAT-POS-2bb0cf2b-1
0.618
MAT-POS-e6dd326d-1
0.618
EDJ-MED-15e90dfc-1
0.617
EDJ-MED-15e90dfc-4
0.617
EDJ-MED-f893e2a1-1
0.617
EDJ-MED-f893e2a1-2
0.617
EDJ-MED-4c7486ba-4
0.615
EDJ-MED-4c7486ba-1
0.615
EDG-MED-70ae9412-2
0.615
EDG-MED-70ae9412-1
0.615
EDJ-MED-4c7486ba-2
0.615
EDJ-MED-4c7486ba-5
0.615
RAL-THA-e002e396-8
0.612
MAT-POS-5f1400cf-2
0.611
KAD-UNI-b13decd3-6
0.611
EDJ-MED-15e90dfc-5
0.610
EDJ-MED-40433386-5
0.608
KAD-UNI-cb0f2bbc-15
0.608
KAD-UNI-b13decd3-9
0.608
DAR-DIA-ecdbc7dd-16
0.607
EDJ-MED-40433386-10
0.607
MAT-POS-61f37a1a-3
0.607
KAD-UNI-cb0f2bbc-22
0.607
EDG-MED-971238d3-8
0.605
EDJ-MED-15e90dfc-2
0.605
MAT-POS-e6dd326d-14
0.603
MAT-POS-e6dd326d-3
0.602
MAT-POS-45b13633-3
0.602
MAT-POS-45b13633-5
0.600
EDJ-MED-40433386-3
0.600
EDJ-MED-28ec730d-2
0.600
EDJ-MED-4c7486ba-12
0.600
EDJ-MED-4c7486ba-9
0.600
MAT-POS-5d65ec79-1
0.600
MAT-POS-f9802937-3
0.600
EDJ-MED-40433386-7
0.600
MAT-POS-f9802937-4
0.600
MAT-POS-3b97339c-1
0.600
MAT-POS-24589f88-13
0.598
MAT-POS-7174c657-1
0.598
JAG-UCB-7b680c2b-1
0.598
KAD-UNI-cb0f2bbc-23
0.598
EDJ-MED-f893e2a1-9
0.597
RAL-THA-e002e396-1
0.596
RAL-THA-e002e396-2
0.596
ALP-POS-477dc5b7-3
0.595
RAL-THA-e002e396-12
0.595
KAD-UNI-b13decd3-10
0.594
EDG-MED-971238d3-6
0.593
EDG-MED-971238d3-10
0.593
RAL-THA-58fba2bc-1
0.593
EDG-MED-971238d3-9
0.593
JAG-UCB-706446eb-3
0.593
MAT-POS-45b13633-4
0.593
MAT-POS-5d65ec79-2
0.591
MAT-POS-f9802937-5
0.591
MAT-POS-f9802937-6
0.591
MAT-POS-24589f88-7
0.591
KAD-UNI-cb0f2bbc-5
0.591
MAT-POS-24589f88-9
0.591
MAT-POS-7174c657-4
0.591
KAD-UNI-b13decd3-4
0.591