Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C)(C(=O)Nc2cncc3cccc(Cl)c23)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: | 1.15769857898406 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
Activated haloaromatics
EDJ-MED-c3ea9889-4
1.000
LUO-POS-868e8996-2
0.677
MAT-POS-e119ab4f-5
0.677
MIK-ENA-f5fe7855-1
0.677
MIK-ENA-d22671f7-1
0.677
LUO-POS-868e8996-1
0.677
MIK-ENA-e76e31f3-1
0.677
EDJ-MED-c3ea9889-2
0.667
EDJ-MED-c3ea9889-1
0.644
EDJ-MED-3bfd841e-1
0.629
EDJ-MED-c3ea9889-3
0.617
MAT-POS-853c0ffa-3
0.604
MAT-POS-a334828f-1
0.604
MAT-POS-c88128cb-15
0.590
PET-UNK-5ad1c31a-6
0.556
PET-UNK-5ad1c31a-12
0.556
MAT-POS-83f73d0a-4
0.552
PET-UNK-5ad1c31a-11
0.527
PET-UNK-5ad1c31a-5
0.527
EDJ-MED-b2a1399d-4
0.526
MAT-POS-c88128cb-4
0.518
MIC-UNK-54748b58-2
0.518
LUO-POS-e3baa4d7-1
0.518
MAT-POS-c88128cb-3
0.518
MAT-POS-c88128cb-6
0.518
MAT-POS-c88128cb-5
0.514
LUO-POS-66f38ea0-1
0.514
EDJ-MED-dac03e7f-6
0.513
EDJ-MED-dac03e7f-8
0.508
EDJ-MED-b2a1399d-3
0.508
EDJ-MED-dac03e7f-5
0.508
EDJ-MED-dac03e7f-2
0.504
EDJ-MED-dac03e7f-7
0.504
EDJ-MED-dac03e7f-1
0.500
MAT-POS-c88128cb-8
0.500
LUO-POS-3b937086-1
0.500
LUO-POS-c9faae85-1
0.500
EDJ-MED-dac03e7f-3
0.496
EDJ-MED-dac03e7f-4
0.496
MAT-POS-c88128cb-7
0.491
MAT-POS-83f73d0a-3
0.491
MAT-POS-c88128cb-9
0.479
MAT-POS-c88128cb-10
0.479
EDG-MED-b8f93667-1
0.475
EDG-MED-b8f93667-2
0.467
EDG-MED-b8f93667-5
0.466
EDG-MED-b8f93667-6
0.466
EDG-MED-b8f93667-8
0.462
EDG-MED-b8f93667-7
0.462
MAT-POS-a334828f-2
0.458
MAT-POS-853c0ffa-4
0.458
EDJ-MED-c3ea9889-8
0.450
EDG-MED-b8f93667-3
0.442
EDJ-MED-9537a89a-3
0.437
EDJ-MED-0186a59b-4
0.436
EDG-MED-b8f93667-4
0.435
EDJ-MED-b2a1399d-2
0.433
MIC-UNK-50cce87d-2
0.424
EDJ-MED-6ab52e52-1
0.424
MIK-ENA-5d9157e9-4
0.424
EDJ-MED-0186a59b-8
0.424
MIK-ENA-5d9157e9-3
0.424
EDJ-MED-b2a1399d-1
0.418
EDJ-MED-94fddcec-3
0.414
PET-UNK-5ad1c31a-4
0.413
PET-UNK-5ad1c31a-10
0.413
EDJ-MED-f9b78f78-3
0.411
ALP-POS-4483ae88-2
0.410
ALP-POS-e266d783-2
0.404
MAT-UNK-28cf4d29-1
0.404
MAT-POS-89bd6af1-3
0.404
PET-UNK-5ad1c31a-3
0.402
PET-UNK-5ad1c31a-9
0.402
EDJ-MED-70ab3faf-1
0.389
ALP-POS-1cbc2fae-1
0.386
MAT-POS-806462de-1
0.386
MAT-POS-806462de-2
0.386
PET-UNK-1abb40f2-2
0.385
PET-UNK-1abb40f2-4
0.385
MIC-UNK-54748b58-1
0.383
EDJ-MED-9537a89a-2
0.381
LUO-POS-868e8996-5
0.380
LUO-POS-868e8996-6
0.380
EDJ-MED-43f8f7d6-5
0.380
MAT-POS-853c0ffa-2
0.380
ALP-POS-e266d783-1
0.380
MAT-POS-1d5ab790-3
0.376
MAT-POS-853c0ffa-1
0.376
EDJ-MED-ede277f6-11
0.375
MAT-POS-81ae2990-1
0.373
EDJ-MED-ede277f6-5
0.373
BEN-DND-a7517465-3
0.368
PET-UNK-6e612674-6
0.368
PET-UNK-6e612674-14
0.368
PET-UNK-b78139fa-13
0.365
EDJ-MED-ede277f6-9
0.365
MAT-POS-1d5ab790-2
0.365
MAT-POS-b4d6b7fc-6
0.365
MIC-UNK-54748b58-4
0.363
MAT-POS-a334828f-3
0.360