Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 445.09 |
| Fraction sp3: | 0.24 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 97.39 |
| cLogP: | 3.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 3.87183631580115 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
Long aliphatic chain
Hetero_hetero
MAT-POS-e6dd326d-5
0.844
MAT-POS-e6dd326d-2
0.837
MAT-POS-45b13633-2
0.837
DAR-DIA-6a508060-13
0.815
EDJ-MED-15e90dfc-7
0.806
MAT-POS-e6dd326d-9
0.800
EDJ-MED-f893e2a1-8
0.800
EDJ-MED-424a8a89-2
0.791
RAL-THA-e002e396-1
0.789
MAT-POS-e6dd326d-12
0.783
MAT-POS-e6dd326d-6
0.774
RAL-THA-e002e396-2
0.769
EDJ-MED-4c7486ba-1
0.768
EDJ-MED-4c7486ba-4
0.768
EDG-MED-70ae9412-2
0.768
MAT-POS-e6dd326d-7
0.768
MAT-POS-e6dd326d-11
0.763
MAT-POS-e6dd326d-8
0.763
MAT-POS-e6dd326d-10
0.758
MAT-POS-e6dd326d-13
0.758
EDJ-MED-15e90dfc-3
0.758
EDJ-MED-424a8a89-1
0.758
EDG-MED-971238d3-2
0.753
MAT-POS-9db1e783-2
0.753
EDJ-MED-8c98ee63-1
0.753
EDG-MED-971238d3-3
0.747
RAL-THA-58fba2bc-3
0.747
RAL-THA-e002e396-5
0.745
MAT-POS-e6dd326d-1
0.744
EDG-MED-971238d3-5
0.744
MAT-POS-45b13633-1
0.744
MAT-POS-2bb0cf2b-1
0.744
RAL-THA-e002e396-6
0.742
EDJ-MED-40433386-10
0.740
DAR-DIA-ecdbc7dd-16
0.740
MAT-POS-45b13633-3
0.739
MAT-POS-e6dd326d-3
0.739
RAL-THA-e002e396-7
0.737
EDJ-MED-f893e2a1-3
0.732
RAL-THA-e002e396-11
0.731
RAL-THA-e002e396-8
0.729
JAG-UCB-706446eb-3
0.728
EDG-MED-971238d3-6
0.728
RAL-THA-58fba2bc-1
0.728
MAT-POS-45b13633-4
0.728
EDG-MED-971238d3-9
0.728
EDG-MED-971238d3-10
0.728
EDJ-MED-40433386-3
0.727
EDJ-MED-4c7486ba-9
0.727
EDJ-MED-4c7486ba-12
0.727
MAT-POS-3b97339c-1
0.727
EDJ-MED-40433386-7
0.727
EDJ-MED-15e90dfc-5
0.724
EDJ-MED-f893e2a1-9
0.724
EDJ-MED-40433386-4
0.724
MAT-POS-f9802937-5
0.723
MAT-POS-5d65ec79-2
0.723
MAT-POS-f9802937-6
0.723
ALP-UNI-0676e700-29
0.721
DAR-DIA-ecdbc7dd-13
0.720
EDJ-MED-f893e2a1-10
0.720
EDJ-MED-15e90dfc-2
0.717
MAT-POS-f9802937-3
0.716
EDJ-MED-28ec730d-2
0.716
MAT-POS-45b13633-5
0.716
MAT-POS-5d65ec79-1
0.716
MAT-POS-f9802937-4
0.716
KAD-UNI-b13decd3-3
0.716
MAT-POS-24589f88-12
0.716
KAD-UNI-b13decd3-9
0.714
MAT-POS-e6dd326d-14
0.713
ALP-POS-477dc5b7-3
0.708
RAL-THA-e002e396-12
0.708
EDG-MED-971238d3-7
0.705
EDG-MED-971238d3-8
0.705
DAR-DIA-ecdbc7dd-4
0.705
EDJ-MED-40433386-5
0.703
EDJ-MED-f893e2a1-4
0.703
EDJ-MED-8c98ee63-2
0.699
RAL-THA-e002e396-3
0.697
EDJ-MED-f893e2a1-2
0.696
EDJ-MED-15e90dfc-1
0.696
EDJ-MED-15e90dfc-4
0.696
EDJ-MED-f893e2a1-1
0.696
EDJ-MED-28ec730d-1
0.694
EDJ-MED-4c7486ba-2
0.692
EDJ-MED-4c7486ba-3
0.692
EDJ-MED-4c7486ba-5
0.692
EDG-MED-70ae9412-1
0.692
EDJ-MED-4c7486ba-6
0.692
DAR-DIA-ecdbc7dd-3
0.691
JAG-UCB-706446eb-2
0.687
JAG-UCB-706446eb-4
0.687
KAD-UNI-cb0f2bbc-23
0.685
MAT-POS-24589f88-13
0.685
MAT-POS-7174c657-1
0.685
MAT-POS-fc9ede84-1
0.683
EDJ-MED-f893e2a1-7
0.683
KAD-UNI-cb0f2bbc-22
0.683
EDJ-MED-15e90dfc-6
0.683