Molecular Properties | |
SMILES: | CNC(=O)C(C)(C)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 450.15 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.01518629527109 |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | 2021-12-08 |
EDJ-MED-12c4873b-4
1.000
EDJ-MED-43f8f7d6-1
1.000
EDJ-MED-41558c53-1
0.775
EDJ-MED-41558c53-2
0.711
EDJ-MED-d165ed91-1
0.711
MIC-UNK-91acba05-2
0.708
EDJ-MED-eb111c00-1
0.708
EDJ-MED-015fb6b4-2
0.684
MAT-POS-acfe5bae-3
0.684
MAT-POS-a54ce14d-2
0.684
MAT-POS-a54ce14d-3
0.684
MAT-POS-acfe5bae-2
0.684
EDJ-MED-c4e42105-3
0.683
PET-UNK-4d432d33-2
0.670
PET-UNK-4d432d33-6
0.670
EDJ-MED-0047eae5-1
0.670
MAT-POS-e2d70d27-1
0.670
PET-UNK-4d432d33-1
0.663
PET-UNK-4d432d33-5
0.663
PET-UNK-f860268d-5
0.660
PET-UNK-f860268d-2
0.660
EDJ-MED-43f8f7d6-2
0.657
EDJ-MED-12c4873b-2
0.657
EDJ-MED-c99b2211-2
0.657
RAL-THA-a9c31980-4
0.657
LUO-POS-8701f4c8-1
0.657
JOH-UNI-6b98e24c-2
0.657
EDJ-MED-eb111c00-3
0.653
EDJ-MED-eb111c00-4
0.649
MIC-UNK-482af05e-3
0.649
EDJ-MED-0047eae5-2
0.643
EDJ-MED-12c4873b-3
0.639
MIC-UNK-482af05e-4
0.639
RAL-THA-5e0a6f1a-1
0.636
PET-UNK-c7ac4d9e-1
0.636
PET-UNK-c7ac4d9e-2
0.636
EDJ-MED-eb111c00-2
0.630
LUO-POS-868e8996-4
0.624
RAL-THA-a9c31980-1
0.624
LUO-POS-868e8996-3
0.624
ALP-POS-b3e0acc5-1
0.624
EDJ-MED-12c4873b-6
0.620
EDJ-MED-12c4873b-8
0.620
EDJ-MED-43f8f7d6-8
0.620
RAL-THA-8f106089-2
0.620
RAL-THA-8f106089-4
0.620
RAL-THA-8f106089-1
0.620
RAL-THA-8f106089-3
0.620
EDJ-MED-43f8f7d6-7
0.620
RAL-THA-a9c31980-3
0.618
JOH-UNI-6b98e24c-1
0.618
EDJ-MED-43f8f7d6-3
0.618
PET-UNK-37251634-6
0.615
PET-UNK-37251634-14
0.615
RAL-THA-a9c31980-5
0.612
PET-UNK-37251634-8
0.606
PET-UNK-37251634-16
0.606
EDJ-MED-c99b2211-1
0.606
EDJ-MED-cc48ee33-1
0.606
EDJ-MED-43f8f7d6-4
0.602
RAL-THA-a9c31980-8
0.600
RAL-THA-a9c31980-6
0.596
PET-UNK-8f269638-1
0.596
PET-UNK-8f269638-2
0.596
PET-UNK-d62a9a75-3
0.594
EDJ-MED-cc48ee33-6
0.594
PET-UNK-d62a9a75-1
0.594
PET-UNK-37251634-1
0.590
RAL-THA-a9c31980-2
0.590
PET-UNK-37251634-9
0.590
MAR-UCB-6ab2ec87-7
0.589
EDJ-MED-968bafd9-1
0.589
PET-UNK-37251634-2
0.585
PET-UNK-37251634-3
0.585
PET-UNK-37251634-4
0.585
PET-UNK-37251634-10
0.585
PET-UNK-37251634-12
0.585
PET-UNK-37251634-15
0.585
EDJ-MED-43f8f7d6-6
0.585
PET-UNK-37251634-7
0.585
PET-UNK-37251634-11
0.585
ALP-POS-c56c1477-3
0.579
PET-UNK-37251634-13
0.579
RAL-THA-a9c31980-9
0.579
PET-UNK-37251634-5
0.579
PET-UNK-d62a9a75-2
0.579
PET-UNK-d62a9a75-4
0.579
TET-ENA-df1c4375-1
0.564
MAT-POS-acfe5bae-4
0.564
MAR-UCB-6ab2ec87-6
0.562
DAR-DIA-70d163b2-1
0.559
MAT-POS-865c3497-1
0.557
MAT-POS-865c3497-2
0.557
MIC-UNK-91acba05-1
0.557
MAT-POS-22e8b45a-1
0.557
ROB-UNI-322e8f70-3
0.557
ALP-POS-a577c8a2-2
0.556
PET-UNK-9b23ef84-2
0.550
MAT-POS-dd3ad2b5-2
0.550
MAT-POS-dd3ad2b5-5
0.549