Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CNCc2c(N3CCOCC3)nc3ccccn3c2=O)CCOc2ccc(Cl)cc21 |
MW: | 610.21 |
Fraction sp3: | 0.27 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 110.09 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 12.5458479346255 |
Order Status | |
Shipped: | 2021-05-06 |
MAT-POS-24589f88-6
1.000
MAT-POS-61f37a1a-9
0.672
KAD-UNI-cb0f2bbc-18
0.672
KAD-UNI-cb0f2bbc-17
0.672
MAT-POS-61f37a1a-8
0.672
KAD-UNI-b13decd3-2
0.632
KAD-UNI-cb0f2bbc-4
0.619
EDJ-MED-15e90dfc-4
0.617
EDJ-MED-f893e2a1-7
0.608
EDJ-MED-8c98ee63-2
0.608
EDJ-MED-f893e2a1-8
0.607
EDJ-MED-15e90dfc-1
0.605
EDJ-MED-f893e2a1-1
0.605
EDJ-MED-f893e2a1-3
0.603
EDJ-MED-f893e2a1-4
0.597
MAT-POS-e6dd326d-11
0.597
KAD-UNI-cb0f2bbc-2
0.596
EDJ-MED-f893e2a1-2
0.592
MAT-POS-e6dd326d-2
0.587
MAT-POS-45b13633-2
0.587
KAD-UNI-cb0f2bbc-15
0.585
KAD-UNI-cb0f2bbc-22
0.583
KAD-UNI-b13decd3-3
0.583
MAT-POS-61f37a1a-3
0.583
MAT-POS-24589f88-12
0.583
MAT-POS-e6dd326d-10
0.583
EDJ-MED-424a8a89-1
0.583
MAT-POS-e6dd326d-13
0.583
EDJ-MED-15e90dfc-3
0.583
EDJ-MED-8c98ee63-1
0.581
EDJ-MED-15e90dfc-7
0.578
MAT-POS-24589f88-15
0.577
KAD-UNI-cb0f2bbc-1
0.577
EDJ-MED-424a8a89-2
0.576
DAR-DIA-ecdbc7dd-5
0.575
EDJ-MED-f893e2a1-9
0.574
KAD-UNI-b13decd3-9
0.574
KAD-UNI-b13decd3-10
0.572
EDJ-MED-f893e2a1-5
0.571
MAT-POS-24589f88-9
0.569
MAT-POS-7174c657-4
0.569
KAD-UNI-b13decd3-4
0.569
MAT-POS-e6dd326d-4
0.568
MAT-POS-e6dd326d-9
0.568
MAT-POS-5f1400cf-2
0.565
KAD-UNI-b13decd3-6
0.565
KAD-UNI-cb0f2bbc-16
0.564
MAT-POS-61f37a1a-6
0.564
EDJ-MED-f893e2a1-10
0.561
EDJ-MED-15e90dfc-6
0.560
EDJ-MED-f893e2a1-6
0.560
KAD-UNI-cb0f2bbc-13
0.559
MAT-POS-61f37a1a-15
0.559
MAT-POS-e6dd326d-8
0.559
MAT-POS-e6dd326d-12
0.559
EDJ-MED-40433386-10
0.558
DAR-DIA-ecdbc7dd-16
0.558
KAD-UNI-b13decd3-12
0.558
EDG-MED-971238d3-6
0.556
MAT-POS-a3f7f96a-7
0.556
KAD-UNI-cb0f2bbc-11
0.556
MAT-POS-e6dd326d-6
0.555
MAT-POS-24589f88-13
0.554
MAT-POS-7174c657-1
0.554
KAD-UNI-cb0f2bbc-23
0.554
EDG-MED-971238d3-5
0.553
MAT-POS-2bb0cf2b-1
0.553
MAT-POS-e6dd326d-1
0.553
MAT-POS-45b13633-1
0.553
KAD-UNI-cb0f2bbc-6
0.552
MAT-POS-24589f88-8
0.552
DAR-DIA-ecdbc7dd-13
0.552
KAD-UNI-cb0f2bbc-3
0.551
MAT-POS-61f37a1a-4
0.551
MAT-POS-e6dd326d-5
0.550
EDJ-MED-15e90dfc-5
0.550
EDJ-MED-40433386-4
0.550
KAD-UNI-cb0f2bbc-9
0.549
KAD-UNI-b13decd3-7
0.549
KAD-UNI-b13decd3-11
0.549
MAT-POS-a3f7f96a-9
0.549
RAL-THA-e002e396-9
0.549
MAT-POS-61f37a1a-7
0.549
KAD-UNI-cb0f2bbc-24
0.549
MAT-POS-e6dd326d-14
0.545
EDG-MED-971238d3-2
0.545
MAT-POS-9db1e783-2
0.545
EDJ-MED-4c7486ba-2
0.544
EDJ-MED-4c7486ba-5
0.544
EDG-MED-70ae9412-1
0.544
EDG-MED-971238d3-3
0.544
RAL-THA-58fba2bc-3
0.544
DAR-DIA-ecdbc7dd-4
0.543
KAD-UNI-cb0f2bbc-20
0.542
KAD-UNI-b13decd3-1
0.542
MAT-POS-5f1400cf-1
0.542
EDG-MED-70ae9412-2
0.542
MAT-POS-e6dd326d-7
0.542
EDJ-MED-4c7486ba-4
0.542
EDJ-MED-4c7486ba-1
0.542