Molecular Properties | |
SMILES: | CNS(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 461.08 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.62 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.766731019864902 |
Order Status | |
Ordered: | 2021-04-27 |
Synthesis Location: | enamine |
Shipped: | 2021-07-07 |
Hetero_hetero
EDG-MED-10fcb19e-4
MIC-UNK-7f86385f-1
0.878
MIC-UNK-7f86385f-2
0.859
MIC-UNK-7f86385f-4
0.851
EDJ-MED-1b46f08e-1
0.798
MIC-UNK-7f86385f-5
0.768
MIC-UNK-7f86385f-3
0.758
EDG-MED-10fcb19e-3
0.750
EDG-MED-10fcb19e-2
0.732
ALP-POS-6f6ae286-3
0.716
PET-UNK-5d7c542f-1
0.716
EDG-MED-10fcb19e-4
0.701
PET-UNK-5d7c542f-2
0.701
ALP-POS-93b3621f-4
0.694
EDJ-MED-611d11e7-1
0.691
MAT-POS-96f51285-2
0.691
EDJ-MED-d08626de-2
0.674
EDG-MED-0e5afe9d-3
0.674
EDJ-MED-d08626de-1
0.674
PET-UNK-29afea89-2
0.674
PET-UNK-a7639856-2
0.670
PET-UNK-b38839dc-20
0.657
ALF-EVA-82cf4849-8
0.653
PET-UNK-f4e47ebd-19
0.646
PET-UNK-b38839dc-19
0.640
PET-UNK-ee8352fa-2
0.634
PET-UNK-ee8352fa-3
0.634
EDJ-MED-611d11e7-4
0.633
PET-UNK-f4e47ebd-17
0.633
MAT-POS-a5ef2d74-3
0.633
MAT-POS-ec6d90b7-4
0.633
EDJ-MED-611d11e7-10
0.633
MAT-POS-a5ef2d74-2
0.633
EDJ-MED-93390d0c-3
0.627
PET-UNK-a7639856-3
0.623
PET-UNK-a7639856-1
0.615
EDG-MED-10fcb19e-1
0.615
PET-UNK-ee8352fa-1
0.614
EDJ-MED-611d11e7-7
0.614
MAT-POS-24589f88-1
0.614
MAT-POS-96f51285-1
0.614
PET-UNK-b38839dc-18
0.612
MAR-UCB-fd2e172f-41
0.612
PET-UNK-f4e47ebd-18
0.608
ALP-POS-93b3621f-3
0.596
PET-UNK-0df12184-2
0.596
ALF-EVA-82cf4849-13
0.594
MAR-UCB-fd2e172f-31
0.594
MAR-UCB-fd2e172f-24
0.590
PET-UNK-c761fc18-5
0.590
PET-UNK-0df12184-5
0.590
ALP-POS-5de921e7-1
0.588
ALF-EVA-82cf4849-11
0.585
PET-UNK-0df12184-1
0.584
ALF-EVA-82cf4849-12
0.583
MAR-UCB-fd2e172f-13
0.577
PET-UNK-0df12184-4
0.574
MAR-UCB-fd2e172f-25
0.574
EDG-MED-10fcb19e-5
0.574
MAR-UCB-fd2e172f-28
0.571
PET-UNK-0df12184-3
0.569
MAR-UCB-fd2e172f-20
0.563
PET-UNK-c761fc18-1
0.563
JOH-UNI-6e27fddc-1
0.563
MAR-UCB-fd2e172f-43
0.562
JOH-UNI-99d163e5-6
0.558
PET-UNK-bcc8fd08-3
0.551
ALF-EVA-82cf4849-4
0.548
PET-UNK-03fd2068-8
0.547
EDJ-MED-211392e3-2
0.546
MAR-UCB-fd2e172f-22
0.544
MAR-UCB-fd2e172f-21
0.539
MAR-UCB-fd2e172f-27
0.538
PET-UNK-824b5c6a-1
0.538
MAR-UCB-fd2e172f-29
0.533
PET-UNK-824b5c6a-3
0.533
PET-UNK-3bb57da2-1
0.532
MAR-UCB-6ab2ec87-3
0.529
EDJ-MED-ee742daa-1
0.529
JOH-UNI-99d163e5-2
0.529
ALP-POS-e6e0c683-2
0.529
MAR-UCB-fd2e172f-35
0.528
EDG-MED-4c68219f-16
0.527
MAR-UCB-fd2e172f-2
0.524
ALP-POS-e6e0c683-1
0.524
PET-UNK-3bb57da2-3
0.523
PET-UNK-3bb57da2-2
0.523
MAR-UCB-fd2e172f-14
0.519
MAR-UCB-fd2e172f-36
0.519
MAR-UCB-fd2e172f-34
0.519
MAR-UCB-fd2e172f-18
0.519
EDJ-MED-93390d0c-4
0.518
PET-UNK-4880b143-1
0.518
MIC-UNK-5d22d78d-2
0.518
PET-UNK-d9de6a0b-1
0.518
PET-UNK-0cc03aae-3
0.518
MAR-UCB-fd2e172f-16
0.514
DAR-DIA-e7614d05-2
0.514
ALP-POS-93b3621f-1
0.514
DAR-DIA-e7614d05-3
0.514
DAR-DIA-e7614d05-1
0.514