Molecular Properties | |
SMILES: | CN1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 351.11 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.442977048918269 |
IC50 (µM) - RapidFire: | 0.570180598521137 |
Order Status | |
Ordered: | 2020-12-01 |
Synthesis Location: | enamine |
Shipped: | 2021-01-08 |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-2
1.000
EDG-MED-5d232de5-6
1.000
MIC-UNK-91acba05-6
1.000
DAR-DIA-0f2f46c9-12
0.735
MAR-UCB-6ab2ec87-6
0.732
ALP-POS-966f8da6-2
0.718
EDG-MED-5d232de5-4
0.718
DAR-DIA-0f2f46c9-4
0.718
RAL-THA-c11c1343-1
0.718
RAL-THA-4aa06b95-1
0.718
DAR-DIA-0f2f46c9-5
0.718
DAR-DIA-0f2f46c9-6
0.718
EDG-MED-5d232de5-3
0.718
RAL-THA-8416115c-4
0.713
RAL-THA-8416115c-3
0.709
DAR-DIA-0f2f46c9-3
0.709
DAR-DIA-0f2f46c9-1
0.709
RAL-THA-4aa06b95-6
0.709
DAR-DIA-0f2f46c9-2
0.709
DAR-DIA-0f2f46c9-10
0.706
DAR-DIA-0f2f46c9-11
0.701
RAL-THA-4aa06b95-3
0.693
DAR-DIA-0f2f46c9-7
0.685
RAL-THA-8416115c-8
0.685
DAR-DIA-0f2f46c9-9
0.685
DAR-DIA-0f2f46c9-8
0.685
RAL-THA-4aa06b95-4
0.685
RAL-THA-4aa06b95-7
0.681
DAR-DIA-0f2f46c9-13
0.678
DAR-DIA-0f2f46c9-14
0.678
RAL-THA-8416115c-7
0.674
RAL-THA-4aa06b95-2
0.674
RAL-THA-8416115c-10
0.670
MIC-UNK-45817b9b-2
0.667
RAL-THA-8416115c-9
0.663
RAL-THA-4aa06b95-5
0.656
RAL-THA-8416115c-1
0.645
MAR-UCB-6ab2ec87-7
0.644
ALP-POS-d054b76b-1
0.629
RAL-THA-8416115c-11
0.619
ALP-UNI-b33a865d-1
0.619
ALP-POS-966f8da6-1
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RAL-THA-8416115c-6
0.619
RAL-THA-8416115c-14
0.612
RAL-THA-8416115c-5
0.606
RAL-THA-8416115c-12
0.600
RAL-THA-8416115c-13
0.600
MIC-UNK-91acba05-4
0.596
ALP-POS-477dc5b7-1
0.596
EDJ-MED-92e193ae-2
0.589
EDJ-MED-92e193ae-1
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MIC-UNK-91acba05-5
0.589
ALP-POS-477dc5b7-2
0.589
MIC-UNK-91acba05-2
0.582
EDJ-MED-eb111c00-1
0.582
MAT-POS-78e1d523-1
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MIC-UNK-91acba05-3
0.578
MAT-POS-66a736cf-1
0.578
MAT-POS-b3e365b9-1
0.578
VLA-UCB-1dbca3b4-15
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MAT-POS-b3e365b9-2
0.578
LUO-POS-868e8996-14
0.578
MAT-POS-f7918075-1
0.578
LUO-POS-868e8996-13
0.578
RAL-THA-05e671eb-3
0.560
BEN-DND-f2e727cd-6
0.559
MAT-POS-dd3ad2b5-1
0.559
ALF-EVA-5b152d2f-1
0.559
BEN-BAS-c2bc0d80-1
0.556
PET-UNK-022eab87-1
0.556
ALP-POS-d054b76b-3
0.556
MAR-UCB-6ab2ec87-1
0.556
ALP-POS-a577c8a2-2
0.553
MAT-POS-bbbbc21a-2
0.551
MAT-POS-f7918075-2
0.551
EDJ-MED-12c115cc-1
0.551
EDJ-MED-12c115cc-2
0.551
MAT-POS-2e8b2191-2
0.548
ADA-UCB-dc2b944c-16
0.548
ALP-UNI-ba800595-1
0.543
BEN-DND-f2e727cd-4
0.543
ALP-UNI-c3ef0aba-2
0.543
MAT-POS-43c25e9b-1
0.538
EDJ-MED-a6bd50ad-1
0.538
MAT-POS-43c25e9b-2
0.538
MIC-UNK-45817b9b-1
0.538
MAK-UNK-8be7dca9-10
0.537
EDJ-MED-0047eae5-1
0.536
MAT-POS-fb82b63d-3
0.532
PET-UNK-c0891748-6
0.532
PET-UNK-c0891748-10
0.532
PET-UNK-c0891748-4
0.532
PET-UNK-c0891748-12
0.532
MAT-POS-dd3ad2b5-2
0.531
MAT-POS-dd3ad2b5-3
0.531
ALP-POS-fe871b40-2
0.531
MAT-POS-4223bc15-19
0.531
MAT-POS-dd3ad2b5-4
0.531
PET-UNK-9b23ef84-2
0.531
RAL-THA-6e4c80cf-1
0.531