Molecular Properties | |
SMILES: | CC(C)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccc(C(C)(C)O)cc23)C1 |
MW: | 515.16 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 99.6 |
cLogP: | 4.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.21768730310556 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
MAT-POS-666635d5-2
0.771
MAT-POS-83f73d0a-1
0.771
MAT-POS-97ec4bd1-2
0.769
MAT-POS-c88128cb-2
0.769
MAT-POS-5c19d660-2
0.769
MAT-POS-97ec4bd1-1
0.762
EDJ-MED-76744c27-5
0.730
MAT-POS-97ec4bd1-3
0.654
MAT-POS-81ae2990-3
0.618
EDJ-MED-7f6e5b75-1
0.617
MAT-POS-4223bc15-6
0.606
PET-UNK-de87a406-1
0.606
EDJ-MED-4fff0a85-2
0.600
PET-UNK-03fd2068-3
0.596
PET-UNK-af70882d-1
0.595
MAT-POS-bf364d7a-5
0.595
MAT-POS-5cd9ea36-1
0.595
EDJ-MED-76744c27-1
0.595
MAT-POS-bf364d7a-6
0.595
FRA-DIA-6238d354-2
0.590
EDJ-MED-378a25ea-24
0.590
EDJ-MED-76744c27-2
0.589
EDJ-MED-76744c27-7
0.589
MAT-POS-81ae2990-6
0.588
EDJ-MED-378a25ea-26
0.586
MAT-POS-e36d57d9-1
0.586
MAT-POS-2e8b2191-9
0.586
MAT-POS-81ae2990-9
0.584
MAT-POS-b4d6b7fc-9
0.584
EDJ-MED-378a25ea-10
0.583
BRU-THA-d60fe444-1
0.579
EDJ-MED-841e0cf0-7
0.579
EDJ-MED-670ad2ee-9
0.579
EDJ-MED-670ad2ee-10
0.579
MAT-POS-5cd9ea36-24
0.578
MAT-POS-78ab8081-5
0.576
EDJ-MED-841e0cf0-6
0.574
EDJ-MED-670ad2ee-8
0.574
EDJ-MED-670ad2ee-7
0.574
EDJ-MED-378a25ea-12
0.574
PET-UNK-af70882d-4
0.573
PET-UNK-af70882d-3
0.573
MAT-POS-78ab8081-6
0.573
PET-UNK-19e211a9-10
0.573
PET-UNK-19e211a9-9
0.573
ANN-CHE-e1757302-2
0.571
ALF-EVA-0e90125c-4
0.571
MAT-POS-5cd9ea36-10
0.571
MAT-POS-78ab8081-3
0.571
MAT-POS-dd1fff26-1
0.571
MAT-POS-dd1fff26-2
0.571
MAT-POS-5c19d660-3
0.571
MAT-POS-4223bc15-5
0.569
PET-UNK-615ad708-5
0.568
PET-UNK-ff046148-1
0.568
PET-UNK-615ad708-2
0.568
EDJ-MED-841e0cf0-5
0.565
EDJ-MED-670ad2ee-5
0.565
EDJ-MED-670ad2ee-6
0.565
EDJ-MED-76744c27-3
0.564
MAT-POS-78ab8081-4
0.563
EDJ-MED-378a25ea-2
0.563
EDJ-MED-378a25ea-22
0.563
EDJ-MED-378a25ea-8
0.558
EDJ-MED-378a25ea-20
0.558
MAT-POS-4223bc15-14
0.558
MAT-POS-5cd9ea36-9
0.558
MAT-POS-4223bc15-4
0.558
ALF-EVA-07677224-9
0.557
PET-UNK-d61f3ea6-2
0.556
EDJ-MED-378a25ea-28
0.554
PET-UNK-af70882d-2
0.554
ANN-CHE-e1757302-5
0.553
ANN-CHE-e1757302-3
0.553
MAT-POS-bf364d7a-2
0.552
MAT-POS-bf364d7a-1
0.552
EDJ-MED-4fff0a85-3
0.552
PET-UNK-ff046148-3
0.552
JOH-SUS-07b743f6-1
0.552
EDJ-MED-378a25ea-6
0.550
MAT-POS-dc2604c4-4
0.549
EDJ-MED-76744c27-6
0.549
MAT-POS-5cd9ea36-12
0.548
ANN-CHE-e1757302-4
0.548
ALP-POS-395d3f9b-1
0.548
MAT-POS-dd3ad2b5-4
0.547
MAT-POS-24589f88-3
0.547
MAT-POS-24589f88-2
0.547
MAT-POS-22373164-3
0.545
EDJ-MED-378a25ea-30
0.545
EDJ-MED-378a25ea-34
0.545
ANN-CHE-e1757302-1
0.544
BEN-DND-32596b04-5
0.544
MAT-POS-5cd9ea36-11
0.544
EDJ-MED-76744c27-4
0.543
MAT-POS-bf364d7a-7
0.543
ALF-EVA-07677224-7
0.543
JOH-SUS-07b743f6-3
0.543
MAT-POS-bf364d7a-8
0.543
ALF-EVA-0e90125c-7
0.542