Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1)NC1CC1 |
| MW: | 434.15 |
| Fraction sp3: | 0.29 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 74.33 |
| cLogP: | 3.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.120208815532699 |
| Order Status | |
| Ordered: | 2021-07-11 |
| Synthesis Location: | enamine |
| Shipped: | 2021-08-05 |
EDJ-MED-ede277f6-11
EDJ-MED-ede277f6-10
EDJ-MED-ede277f6-7
EDJ-MED-ede277f6-2
EDJ-MED-ede277f6-1
EDJ-MED-ede277f6-8
EDJ-MED-ede277f6-6
EDJ-MED-ede277f6-5
EDJ-MED-ede277f6-12
EDJ-MED-ede277f6-9
EDJ-MED-ede277f6-4
EDJ-MED-ede277f6-3
EDJ-MED-dac03e7f-8
EDJ-MED-dac03e7f-6
EDJ-MED-dac03e7f-5
EDJ-MED-dac03e7f-4
EDJ-MED-dac03e7f-2
EDJ-MED-dac03e7f-1
EDJ-MED-dac03e7f-3
EDJ-MED-dac03e7f-7
EDJ-MED-c82a5324-2
0.859
MAT-POS-4223bc15-23
0.811
MAT-POS-8293a91a-4
0.811
MAT-POS-8293a91a-5
0.811
MAT-POS-4223bc15-21
0.789
EDJ-MED-c40d95bc-2
0.789
MAT-POS-4223bc15-25
0.789
EDJ-MED-ede277f6-7
0.784
MAT-POS-4223bc15-22
0.774
JOH-UNI-ededfdb6-1
0.768
MAT-POS-5cd9ea36-15
0.760
MAT-POS-4223bc15-24
0.755
EDJ-MED-c82a5324-3
0.745
NIR-WEI-dcc3321b-6
0.737
EDJ-MED-ede277f6-8
0.735
EDJ-MED-54fbebd8-3
0.723
EDJ-MED-e9a22d5d-1
0.723
PET-UNK-162c14b2-1
0.713
MAT-POS-61f37a1a-12
0.713
EDJ-MED-c40d95bc-1
0.699
MAT-POS-4223bc15-26
0.698
MAT-POS-4223bc15-27
0.698
MIC-UNK-482af05e-2
0.698
RAL-THA-ee48ba5f-5
0.698
RAL-THA-ee48ba5f-4
0.691
EDJ-MED-ede277f6-9
0.686
MIC-UNK-482af05e-1
0.684
MAT-POS-4223bc15-28
0.677
MAT-UNK-35705829-1
0.670
EDJ-MED-fa7708b3-1
0.670
RAL-THA-ee48ba5f-1
0.670
NIR-WEI-dcc3321b-5
0.664
MAT-UNK-f490e871-1
0.663
MAT-UNK-04ae9652-1
0.663
RAL-THA-ee48ba5f-2
0.663
ALF-EVA-0e90125c-9
0.660
NIR-WEI-dcc3321b-1
0.658
EDJ-MED-0186a59b-2
0.657
EDJ-MED-7889e8da-3
0.657
MAT-POS-4223bc15-19
0.656
RAL-THA-6e4c80cf-1
0.656
MAT-POS-4223bc15-6
0.653
BEN-DND-f2e727cd-6
0.653
MAT-POS-dd3ad2b5-1
0.653
NIR-WEI-dcc3321b-4
0.652
RAL-THA-ee48ba5f-6
0.650
CLI-TLC-36f34aa2-1
0.650
RAL-THA-ee48ba5f-3
0.648
PET-UNK-5ba9a1cb-3
0.644
PET-UNK-5ba9a1cb-2
0.644
MAT-POS-5cd9ea36-2
0.644
MAT-POS-4223bc15-18
0.643
EDJ-MED-43f8f7d6-4
0.641
EDJ-MED-0186a59b-1
0.641
ALP-POS-6f6ae286-5
0.641
EDJ-MED-7889e8da-1
0.641
BEN-DND-f06bfa8e-2
0.641
NIR-WEI-dcc3321b-3
0.640
MAT-POS-4223bc15-13
0.640
BRU-THA-d60fe444-1
0.640
MAT-POS-24589f88-2
0.639
MAT-POS-dd3ad2b5-3
0.639
PET-UNK-9b23ef84-2
0.639
MAT-POS-24589f88-3
0.639
MAT-POS-dd3ad2b5-4
0.639
MAT-POS-dd3ad2b5-2
0.639
PET-UNK-5ba9a1cb-1
0.638
EDJ-MED-fa7708b3-2
0.638
EDJ-MED-76744c27-3
0.637
MAT-POS-4223bc15-3
0.636
MAT-POS-4223bc15-17
0.636
NIR-WEI-dcc3321b-2
0.635
RAL-THA-6e4c80cf-2
0.634
MAT-POS-4223bc15-20
0.634
EDJ-MED-fa7708b3-3
0.632
MAT-POS-4223bc15-5
0.627
PET-UNK-af70882d-2
0.625
MAT-POS-4223bc15-35
0.624
MAT-POS-97ec4bd1-3
0.623
MAT-POS-5cd9ea36-24
0.621
MAT-POS-dd3ad2b5-5
0.620
MAT-POS-4223bc15-1
0.620
CLI-TLC-3a13eaf2-1
0.618
PET-UNK-af70882d-4
0.615
MAT-POS-61f37a1a-2
0.615
EDJ-MED-7f6e5b75-1
0.615
MAT-POS-4223bc15-9
0.615
PET-UNK-af70882d-3
0.615
EDJ-MED-76744c27-5
0.615
MAT-POS-5cd9ea36-3
0.615
EDJ-MED-12c4873b-3
0.614
MAT-POS-4223bc15-2
0.614
PET-UNK-d61f3ea6-2
0.614
ANN-CHE-e1757302-1
0.613
MAT-POS-5cd9ea36-17
0.612
MAT-POS-4223bc15-33
0.612
PET-UNK-ff046148-1
0.610
EDJ-MED-c82a5324-1
0.610
DAR-DIA-d8bd013f-2
0.610
MAT-POS-4223bc15-34
0.610