Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cccc(Cl)c34)C2)CC1 |
MW: | 514.06 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.259133191052127 |
Order Status | |
Ordered: | 2021-10-05 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Hetero_hetero
MAT-POS-81ae2990-7
1.000
MAT-POS-81ae2990-1
0.808
MAT-POS-81ae2990-4
0.792
MAT-POS-81ae2990-8
0.792
EDJ-MED-ede277f6-11
0.767
MAT-POS-13080fc6-1
0.720
MAT-POS-13080fc6-3
0.688
EDJ-MED-be9e6f63-4
0.683
EDJ-MED-7889e8da-4
0.683
MAT-POS-dc2604c4-1
0.679
MAT-POS-e194df51-1
0.679
MAT-POS-e194df51-2
0.679
EDJ-MED-ede277f6-3
0.679
MAT-POS-bfd29aac-1
0.667
PET-UNK-19e211a9-1
0.667
PET-UNK-19e211a9-2
0.664
MAT-POS-bfd29aac-2
0.664
MAT-POS-b4d6b7fc-9
0.651
MAT-POS-81ae2990-9
0.651
MAT-POS-4223bc15-12
0.645
EDJ-MED-7889e8da-2
0.645
EDJ-MED-be9e6f63-2
0.645
EDJ-MED-378a25ea-9
0.640
EDJ-MED-7889e8da-6
0.640
EDJ-MED-378a25ea-12
0.640
EDJ-MED-378a25ea-18
0.637
MAT-POS-78ab8081-6
0.637
PET-UNK-19e211a9-10
0.637
MAT-POS-81ae2990-2
0.636
PET-UNK-c6bcc80b-8
0.635
PET-UNK-c6bcc80b-1
0.635
EDJ-MED-378a25ea-4
0.635
MAT-POS-5cd9ea36-5
0.634
EDJ-MED-378a25ea-10
0.634
EDJ-MED-378a25ea-11
0.634
EDJ-MED-378a25ea-23
0.632
EDJ-MED-4f4dd660-2
0.632
EDJ-MED-378a25ea-7
0.632
MAT-POS-22373164-1
0.632
ALE-ALC-3d276b90-1
0.631
ALE-ALC-b4762a05-1
0.631
ALE-ALC-1b189c66-1
0.631
EDJ-MED-be9e6f63-3
0.628
EDJ-MED-378a25ea-25
0.628
MAT-POS-c7726e07-7
0.628
MAT-POS-c7726e07-8
0.628
EDJ-MED-be9e6f63-1
0.628
PET-UNK-19e211a9-4
0.627
EDJ-MED-0186a59b-4
0.626
MAT-POS-5cd9ea36-7
0.626
EDJ-MED-378a25ea-2
0.626
EDJ-MED-378a25ea-6
0.626
MAT-POS-bf364d7a-11
0.626
MAT-POS-bf364d7a-12
0.626
MAT-POS-78ab8081-4
0.626
MAT-POS-81ae2990-5
0.625
EDJ-MED-378a25ea-33
0.624
PET-UNK-19e211a9-9
0.623
MAT-POS-2e8b2191-9
0.623
EDJ-MED-378a25ea-26
0.623
MAT-POS-e36d57d9-1
0.623
EDJ-MED-378a25ea-1
0.623
EDJ-MED-378a25ea-21
0.623
MAT-POS-97ec4bd1-2
0.623
EDJ-MED-378a25ea-8
0.621
EDJ-MED-378a25ea-20
0.621
EDJ-MED-4f4dd660-4
0.621
ALP-POS-07e1ed01-2
0.619
EDJ-MED-378a25ea-3
0.619
PET-UNK-19e211a9-6
0.617
PET-UNK-19e211a9-7
0.617
PET-UNK-19e211a9-8
0.617
MAT-POS-5cd9ea36-6
0.617
MAT-POS-bf364d7a-9
0.617
MAT-POS-bf364d7a-10
0.617
MAT-POS-22373164-2
0.617
PET-UNK-19e211a9-5
0.617
ALP-POS-6f6ae286-4
0.614
ALE-ALC-e1a61ec1-1
0.614
EDJ-MED-ede277f6-5
0.613
EDJ-MED-378a25ea-22
0.612
EDJ-MED-378a25ea-24
0.612
EDJ-MED-4f4dd660-6
0.610
JOH-UNI-2440d4f3-2
0.607
PET-UNK-615ad708-4
0.607
PET-UNK-19e211a9-3
0.607
PET-UNK-615ad708-1
0.607
JOH-SUS-07b743f6-3
0.607
MAT-POS-22373164-3
0.607
MAT-POS-22373164-4
0.607
EDJ-MED-378a25ea-5
0.605
EDJ-MED-378a25ea-13
0.605
EDJ-MED-378a25ea-30
0.605
EDJ-MED-378a25ea-34
0.605
PET-UNK-94036022-8
0.604
EDJ-MED-ede277f6-9
0.604
XIA-UNK-284f966f-1
0.604
PET-UNK-94036022-1
0.604
ALE-ALC-159be365-1
0.603
EDJ-MED-378a25ea-17
0.602