Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 576.09 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 142.61 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.468466115705262 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Activated haloaromatics
EDJ-MED-dac03e7f-3
0.882
EDJ-MED-c3ea9889-3
0.822
EDJ-MED-dac03e7f-6
0.774
EDG-MED-b8f93667-6
0.769
EDJ-MED-dac03e7f-1
0.769
EDJ-MED-dac03e7f-4
0.761
EDG-MED-b8f93667-8
0.745
EDG-MED-b8f93667-2
0.716
EDG-MED-b8f93667-4
0.692
EDJ-MED-dac03e7f-7
0.681
EDJ-MED-c3ea9889-2
0.660
EDJ-MED-b2a1399d-2
0.649
EDJ-MED-b2a1399d-1
0.643
EDJ-MED-b2a1399d-4
0.637
EDJ-MED-c3ea9889-1
0.625
EDJ-MED-3bfd841e-1
0.625
EDJ-MED-b2a1399d-3
0.615
EDG-MED-b8f93667-5
0.600
MAT-POS-e119ab4f-5
0.595
LUO-POS-868e8996-1
0.595
MIK-ENA-e76e31f3-1
0.595
MIK-ENA-d22671f7-1
0.595
MIK-ENA-f5fe7855-1
0.595
LUO-POS-868e8996-2
0.595
EDJ-MED-dac03e7f-5
0.588
EDJ-MED-dac03e7f-8
0.588
EDJ-MED-70ab3faf-2
0.582
EDG-MED-b8f93667-7
0.581
MAT-POS-c88128cb-14
0.577
LUO-POS-c9faae85-1
0.570
MAT-POS-c88128cb-5
0.570
LUO-POS-66f38ea0-1
0.570
PET-UNK-6e612674-7
0.557
PET-UNK-5ad1c31a-6
0.557
PET-UNK-6e612674-15
0.557
PET-UNK-5ad1c31a-12
0.557
LUO-POS-3b937086-1
0.556
MAT-POS-c88128cb-8
0.556
MAT-POS-c88128cb-10
0.545
MAT-POS-c88128cb-9
0.545
PET-UNK-5ad1c31a-5
0.543
PET-UNK-5ad1c31a-11
0.543
EDG-MED-b8f93667-1
0.542
MAT-POS-83f73d0a-4
0.540
MAT-POS-c88128cb-4
0.521
EDG-MED-b8f93667-3
0.513
EDJ-MED-211392e3-2
0.508
MAT-POS-c88128cb-3
0.508
MAT-POS-c88128cb-6
0.508
LUO-POS-e3baa4d7-1
0.508
MAT-POS-666635d5-1
0.504
EDJ-MED-c3ea9889-4
0.504
PET-UNK-6e612674-11
0.500
PET-UNK-6e612674-3
0.500
MAT-POS-c88128cb-7
0.496
EDJ-MED-ede277f6-8
0.492
MAT-POS-83f73d0a-3
0.482
EDJ-MED-e69ed63d-4
0.480
EDJ-MED-c3ea9889-5
0.462
PET-UNK-6e612674-8
0.456
PET-UNK-6e612674-16
0.456
EDJ-MED-93390d0c-2
0.454
EDJ-MED-e69ed63d-10
0.450
EDJ-MED-f9b78f78-1
0.449
EDJ-MED-70ab3faf-3
0.444
EDG-MED-ee636701-1
0.433
EDJ-MED-ede277f6-12
0.432
MIC-UNK-54748b58-2
0.425
PET-UNK-6e612674-6
0.425
PET-UNK-6e612674-14
0.425
MAT-POS-c88128cb-13
0.418
EDJ-MED-e69ed63d-5
0.418
EDJ-MED-d165ed91-3
0.418
MAT-POS-7ddaf7de-2
0.413
ERI-UCB-8d4e5055-3
0.413
EDJ-MED-41558c53-8
0.412
PET-UNK-6e612674-4
0.409
PET-UNK-6e612674-12
0.409
EDG-MED-10fcb19e-4
0.408
EDJ-MED-7889e8da-5
0.408
EDJ-MED-0186a59b-3
0.408
EDJ-MED-7889e8da-6
0.406
EDJ-MED-378a25ea-9
0.406
EDJ-MED-93390d0c-3
0.405
PET-UNK-6e612674-5
0.405
PET-UNK-6e612674-13
0.405
EDJ-MED-e69ed63d-12
0.402
EDJ-MED-c99b2211-4
0.402
EDJ-MED-d165ed91-4
0.402
EDJ-MED-c99b2211-3
0.400
EDJ-MED-e69ed63d-8
0.398
EDJ-MED-41558c53-10
0.398
MAT-POS-2e8b2191-12
0.397
EDJ-MED-0186a59b-7
0.397
ALP-POS-1cbc2fae-1
0.397
MAT-POS-806462de-1
0.397
MAT-POS-806462de-2
0.397
EDJ-MED-841e0cf0-4
0.395
EDJ-MED-670ad2ee-4
0.395
EDJ-MED-d165ed91-5
0.394