Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 448.13 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0553329133725499 |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
LUO-POS-8701f4c8-1
1.000
EDJ-MED-12c4873b-2
1.000
EDJ-MED-41558c53-3
0.785
BEN-DND-f6031113-24
0.734
EDJ-MED-41558c53-4
0.723
EDJ-MED-d165ed91-2
0.723
EDJ-MED-c4e42105-4
0.695
MIC-UNK-91acba05-2
0.677
EDJ-MED-eb111c00-1
0.677
JOH-UNI-6b98e24c-2
0.663
MAT-POS-acfe5bae-2
0.657
EDJ-MED-12c4873b-4
0.657
LUO-POS-3f66b338-1
0.657
MAT-POS-a54ce14d-3
0.657
EDJ-MED-015fb6b4-2
0.657
MAT-POS-a54ce14d-2
0.657
EDJ-MED-43f8f7d6-1
0.657
EDJ-MED-0047eae5-1
0.643
MAT-POS-acfe5bae-3
0.640
EDJ-MED-eb111c00-4
0.640
PET-UNK-f860268d-2
0.633
PET-UNK-f860268d-5
0.633
EDJ-MED-eb111c00-3
0.626
PET-UNK-4d432d33-2
0.626
PET-UNK-4d432d33-6
0.626
MIC-UNK-482af05e-3
0.624
PET-UNK-4d432d33-1
0.620
PET-UNK-4d432d33-5
0.620
EDJ-MED-0047eae5-2
0.618
ALP-POS-b3e0acc5-1
0.615
MIC-UNK-482af05e-4
0.614
EDJ-MED-c99b2211-1
0.613
RAL-THA-8f106089-1
0.612
MAT-POS-e2d70d27-1
0.612
PET-UNK-c7ac4d9e-1
0.612
PET-UNK-c7ac4d9e-2
0.612
EDJ-MED-12c4873b-8
0.612
RAL-THA-5e0a6f1a-1
0.612
EDJ-MED-43f8f7d6-8
0.612
RAL-THA-8f106089-2
0.612
EDJ-MED-12c4873b-1
0.606
EDJ-MED-eb111c00-2
0.606
RAL-THA-a9c31980-5
0.604
PET-UNK-8f269638-1
0.604
PET-UNK-8f269638-2
0.604
RAL-THA-a9c31980-1
0.600
EDJ-MED-c99b2211-2
0.600
LUO-POS-868e8996-3
0.600
RAL-THA-a9c31980-4
0.600
LUO-POS-868e8996-4
0.600
PET-UNK-37251634-9
0.598
PET-UNK-37251634-1
0.598
EDJ-MED-968bafd9-1
0.596
EDJ-MED-43f8f7d6-7
0.596
RAL-THA-8f106089-3
0.596
RAL-THA-8f106089-4
0.596
EDJ-MED-12c4873b-6
0.596
EDJ-MED-43f8f7d6-3
0.594
RAL-THA-a9c31980-3
0.594
JOH-UNI-6b98e24c-1
0.594
ALP-POS-c56c1477-3
0.587
EDJ-MED-cc48ee33-1
0.583
EDJ-MED-43f8f7d6-4
0.579
PET-UNK-37251634-6
0.578
PET-UNK-37251634-12
0.578
RAL-THA-a9c31980-8
0.578
PET-UNK-37251634-4
0.578
PET-UNK-37251634-14
0.578
RAL-THA-a9c31980-6
0.574
PET-UNK-d62a9a75-2
0.573
PET-UNK-d62a9a75-4
0.573
EDJ-MED-cc48ee33-6
0.573
MAT-POS-acfe5bae-4
0.571
TET-ENA-df1c4375-1
0.571
PET-UNK-37251634-16
0.569
RAL-THA-a9c31980-2
0.569
PET-UNK-37251634-8
0.569
PET-UNK-37251634-2
0.564
PET-UNK-37251634-7
0.564
PET-UNK-37251634-10
0.564
PET-UNK-37251634-11
0.564
EDJ-MED-43f8f7d6-6
0.564
PET-UNK-37251634-3
0.564
PET-UNK-37251634-15
0.564
RAL-THA-a9c31980-9
0.559
PET-UNK-d62a9a75-1
0.559
PET-UNK-d62a9a75-3
0.559
PET-UNK-37251634-5
0.559
PET-UNK-37251634-13
0.559
EDG-MED-9fc99cca-4
0.550
ALP-POS-a577c8a2-2
0.549
MAR-UCB-6ab2ec87-6
0.540
DAR-DIA-70d163b2-1
0.538
MAT-POS-865c3497-1
0.535
MAT-POS-22e8b45a-1
0.535
MAT-POS-865c3497-2
0.535
ROB-UNI-322e8f70-3
0.535
MAR-UCB-6ab2ec87-7
0.535
MIC-UNK-91acba05-1
0.535
MAT-POS-4223bc15-19
0.529