Molecular Properties | |
SMILES: | COCCN1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.563812212178669 |
IC50 (µM) - RapidFire: | 0.98786404765623 |
Order Status | |
Ordered: | 2020-12-18 |
Synthesis Location: | enamine |
Shipped: | 2021-02-03 |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-4
0.837
RAL-THA-4aa06b95-6
0.814
RAL-THA-8416115c-3
0.773
RAL-THA-8416115c-7
0.736
RAL-THA-8416115c-10
0.731
RAL-THA-8416115c-8
0.728
RAL-THA-8416115c-9
0.723
RAL-THA-8416115c-1
0.705
RAL-THA-4aa06b95-5
0.698
EDG-MED-5d232de5-5
0.681
RAL-THA-8416115c-2
0.681
MIC-UNK-91acba05-6
0.681
EDG-MED-5d232de5-6
0.681
RAL-THA-8416115c-11
0.677
ALP-POS-966f8da6-1
0.677
RAL-THA-8416115c-6
0.677
ALP-UNI-b33a865d-1
0.677
RAL-THA-8416115c-14
0.670
RAL-THA-4aa06b95-1
0.667
ALP-POS-966f8da6-2
0.667
RAL-THA-c11c1343-1
0.667
EDG-MED-5d232de5-3
0.667
EDG-MED-5d232de5-4
0.667
RAL-THA-8416115c-5
0.663
RAL-THA-4aa06b95-2
0.663
DAR-DIA-0f2f46c9-12
0.663
RAL-THA-8416115c-13
0.657
RAL-THA-8416115c-12
0.657
DAR-DIA-0f2f46c9-5
0.649
DAR-DIA-0f2f46c9-6
0.649
DAR-DIA-0f2f46c9-4
0.649
RAL-THA-4aa06b95-3
0.646
RAL-THA-4aa06b95-4
0.639
DAR-DIA-0f2f46c9-10
0.638
DAR-DIA-0f2f46c9-2
0.625
DAR-DIA-0f2f46c9-3
0.625
DAR-DIA-0f2f46c9-1
0.625
DAR-DIA-0f2f46c9-8
0.622
DAR-DIA-0f2f46c9-9
0.622
DAR-DIA-0f2f46c9-7
0.622
DAR-DIA-0f2f46c9-11
0.619
DAR-DIA-0f2f46c9-14
0.616
DAR-DIA-0f2f46c9-13
0.616
EDJ-MED-eb111c00-2
0.608
MAR-UCB-6ab2ec87-6
0.606
MIC-UNK-45817b9b-2
0.588
MAR-UCB-6ab2ec87-7
0.583
ALP-POS-d054b76b-1
0.571
MAT-POS-4223bc15-28
0.567
EDJ-MED-92e193ae-1
0.551
ALP-POS-477dc5b7-2
0.551
EDJ-MED-92e193ae-2
0.551
MIC-UNK-91acba05-5
0.551
MAT-POS-f7918075-1
0.541
VLA-UCB-1dbca3b4-15
0.541
MAT-POS-b3e365b9-1
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MAT-POS-b3e365b9-2
0.541
EDJ-MED-2791eece-3
0.538
DAR-DIA-0587064e-17
0.538
DAR-DIA-0587064e-16
0.533
EDJ-MED-eb111c00-1
0.530
MIC-UNK-91acba05-2
0.530
RAL-THA-6e4c80cf-1
0.529
MAT-POS-4223bc15-19
0.529
MIC-UNK-91acba05-4
0.525
MIC-UNK-91acba05-3
0.525
MAT-POS-78e1d523-1
0.525
ALP-POS-477dc5b7-1
0.525
LUO-POS-868e8996-14
0.525
MAT-POS-66a736cf-1
0.525
LUO-POS-868e8996-13
0.525
BEN-DND-f2e727cd-6
0.525
MAT-POS-dd3ad2b5-1
0.525
LAU-MED-88a3970a-13
0.523
LAU-MED-88a3970a-14
0.523
MAR-UCB-6ab2ec87-1
0.520
MIC-UNK-45817b9b-1
0.520
MAT-POS-43c25e9b-2
0.520
MAT-POS-43c25e9b-1
0.520
EDJ-MED-a6bd50ad-1
0.520
ALP-POS-a577c8a2-2
0.520
MAT-POS-5369c344-4
0.519
DAR-DIA-0587064e-12
0.519
MAT-POS-fb82b63d-3
0.515
DAR-DIA-6a508060-4
0.515
MAT-POS-43fe65f4-1
0.515
RAL-THA-05e671eb-19
0.515
EDJ-MED-e4b030d8-7
0.515
MAT-POS-4223bc15-4
0.514
RAL-THA-05e671eb-3
0.510
ALF-EVA-5b152d2f-1
0.510
PET-UNK-c7ac4d9e-1
0.509
PET-UNK-c7ac4d9e-2
0.509
ALP-POS-d054b76b-3
0.509
BEN-BAS-c2bc0d80-1
0.505
PET-UNK-162c14b2-1
0.505
PET-UNK-4d432d33-6
0.505
EDJ-MED-eb111c00-3
0.505
MAT-POS-61f37a1a-12
0.505
PET-UNK-4d432d33-2
0.505