Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C)(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 506.06 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.393313871771706 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Activated haloaromatics
EDJ-MED-c3ea9889-1
0.826
EDJ-MED-3bfd841e-1
0.826
EDJ-MED-c3ea9889-3
0.809
MIK-ENA-d22671f7-1
0.791
MIK-ENA-f5fe7855-1
0.791
MAT-POS-e119ab4f-5
0.791
LUO-POS-868e8996-1
0.791
MIK-ENA-e76e31f3-1
0.791
LUO-POS-868e8996-2
0.791
LUO-POS-c9faae85-1
0.737
EDJ-MED-dac03e7f-8
0.699
EDJ-MED-dac03e7f-5
0.683
EDJ-MED-dac03e7f-4
0.679
EDJ-MED-dac03e7f-7
0.676
EDJ-MED-dac03e7f-6
0.673
EDJ-MED-dac03e7f-1
0.670
EDJ-MED-c3ea9889-4
0.667
MAT-POS-666635d5-1
0.667
EDJ-MED-dac03e7f-3
0.664
EDJ-MED-dac03e7f-2
0.660
PET-UNK-5ad1c31a-6
0.634
PET-UNK-5ad1c31a-12
0.634
MAT-POS-83f73d0a-4
0.633
EDJ-MED-b2a1399d-4
0.629
EDG-MED-b8f93667-5
0.619
EDG-MED-b8f93667-6
0.619
PET-UNK-5ad1c31a-5
0.618
PET-UNK-5ad1c31a-11
0.618
EDG-MED-b8f93667-7
0.613
EDG-MED-b8f93667-8
0.613
EDG-MED-b8f93667-1
0.613
MAT-POS-c88128cb-4
0.608
EDJ-MED-b2a1399d-3
0.606
LUO-POS-66f38ea0-1
0.602
MAT-POS-c88128cb-5
0.602
EDG-MED-b8f93667-2
0.602
MAT-POS-c88128cb-8
0.600
LUO-POS-3b937086-1
0.600
MAT-POS-c88128cb-3
0.590
LUO-POS-e3baa4d7-1
0.590
MAT-POS-c88128cb-6
0.590
EDG-MED-b8f93667-3
0.584
MAT-POS-c88128cb-7
0.574
EDG-MED-b8f93667-4
0.573
MAT-POS-c88128cb-9
0.573
MAT-POS-83f73d0a-3
0.566
EDJ-MED-b2a1399d-2
0.565
MIC-UNK-54748b58-2
0.561
EDJ-MED-b2a1399d-1
0.560
MAT-POS-c88128cb-10
0.559
PET-UNK-6e612674-14
0.554
PET-UNK-6e612674-6
0.554
ALP-POS-e266d783-2
0.495
MAT-POS-89bd6af1-3
0.495
MAT-UNK-28cf4d29-1
0.495
PET-UNK-6e612674-2
0.490
PET-UNK-6e612674-10
0.490
EDJ-MED-70ab3faf-2
0.481
EDJ-MED-70ab3faf-3
0.473
MAT-POS-c88128cb-13
0.472
EDJ-MED-70ab3faf-1
0.467
MAT-POS-c88128cb-14
0.464
ALP-POS-1cbc2fae-1
0.462
MAT-POS-806462de-1
0.462
MAT-POS-806462de-2
0.462
PET-UNK-6e612674-8
0.461
PET-UNK-6e612674-16
0.461
PET-UNK-6e612674-5
0.455
PET-UNK-6e612674-13
0.455
ALP-POS-e266d783-1
0.451
MAT-POS-853c0ffa-2
0.451
LUO-POS-868e8996-6
0.451
LUO-POS-868e8996-5
0.451
EDJ-MED-43f8f7d6-5
0.451
PET-UNK-5ad1c31a-3
0.448
PET-UNK-5ad1c31a-4
0.448
PET-UNK-5ad1c31a-9
0.448
PET-UNK-5ad1c31a-10
0.448
PET-UNK-6e612674-7
0.447
PET-UNK-6e612674-15
0.447
EDG-MED-ee636701-3
0.445
PET-UNK-1abb40f2-2
0.432
PET-UNK-1abb40f2-4
0.432
EDJ-MED-0186a59b-2
0.425
EDJ-MED-7889e8da-3
0.425
EDJ-MED-c3ea9889-7
0.425
RAL-THA-a9c31980-7
0.424
JOH-UNI-06d7cc04-1
0.420
ALP-POS-4483ae88-2
0.420
MIC-UNK-54748b58-1
0.417
MAT-POS-a334828f-3
0.415
PET-UNK-b78139fa-14
0.414
EDJ-MED-0186a59b-6
0.412
LUO-POS-74179f4f-1
0.412
LUO-POS-edefcc0e-1
0.412
MAT-POS-c88128cb-12
0.411
PET-UNK-6e612674-4
0.410
PET-UNK-6e612674-12
0.410
EDJ-MED-f9b78f78-5
0.406
BEN-DND-f06bfa8e-5
0.402