Molecular Properties | |
SMILES: | CC(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.8548387012905 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-11-03 |
EDJ-MED-2791eece-2
1.000
EDJ-MED-2791eece-12
0.807
EDJ-MED-036ae2e9-2
0.798
EDJ-MED-036ae2e9-1
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EDJ-MED-2791eece-4
0.742
EDJ-MED-487c5e9f-4
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EDJ-MED-036ae2e9-8
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MAT-POS-fb82b63d-3
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EDJ-MED-036ae2e9-4
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EDJ-MED-2791eece-6
0.693
EDJ-MED-b774e9fe-2
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EDJ-MED-2791eece-8
0.689
EDJ-MED-2791eece-10
0.689
EDJ-MED-b774e9fe-3
0.689
EDJ-MED-036ae2e9-3
0.670
EDJ-MED-2791eece-11
0.663
EDJ-MED-2791eece-5
0.656
MAT-POS-fb82b63d-4
0.652
EDJ-MED-2791eece-1
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EDJ-MED-2791eece-3
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EDJ-MED-2791eece-7
0.642
EDJ-MED-487c5e9f-10
0.639
EDJ-MED-036ae2e9-9
0.632
EDJ-MED-036ae2e9-10
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EDJ-MED-487c5e9f-9
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EDJ-MED-2791eece-9
0.626
EDJ-MED-036ae2e9-7
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EDJ-MED-487c5e9f-7
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EDJ-MED-036ae2e9-6
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EDJ-MED-036ae2e9-11
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EDJ-MED-487c5e9f-8
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EDJ-MED-487c5e9f-5
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EDJ-MED-487c5e9f-1
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ALP-POS-d054b76b-2
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EDJ-MED-036ae2e9-5
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EDJ-MED-487c5e9f-11
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EDJ-MED-487c5e9f-2
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EDJ-MED-487c5e9f-6
0.594
EDJ-MED-036ae2e9-12
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EDJ-MED-487c5e9f-3
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MAT-POS-fb82b63d-1
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DAR-DIA-4987d2cd-3
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MIC-UNK-91acba05-4
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ALP-POS-477dc5b7-1
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EDJ-MED-487c5e9f-12
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DAR-DIA-4987d2cd-4
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MAT-POS-dd3ad2b5-2
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PET-UNK-9b23ef84-2
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MAR-UCB-6ab2ec87-7
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MAT-POS-4223bc15-19
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MAT-POS-24589f88-2
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RAL-THA-6e4c80cf-1
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MAT-POS-24589f88-3
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MAT-POS-dd3ad2b5-4
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MAT-POS-4223bc15-1
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BEN-DND-f2e727cd-5
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MAT-POS-3ccb8ef6-2
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MAT-POS-3ccb8ef6-1
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MAT-POS-d8472c4f-5
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BEN-DND-f2e727cd-6
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MAT-POS-dd3ad2b5-1
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ALP-POS-d054b76b-4
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ALP-POS-966f8da6-2
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RAL-THA-c11c1343-1
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EDG-MED-5d232de5-3
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EDG-MED-5d232de5-4
0.526
MAT-POS-4223bc15-3
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MAT-POS-4223bc15-6
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ALP-UNI-c3ef0aba-2
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MAR-UCB-6ab2ec87-6
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BEN-DND-f2e727cd-4
0.516
MIC-UNK-45817b9b-2
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RAL-THA-ee48ba5f-5
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PET-UNK-d61f3ea6-2
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MAT-POS-4223bc15-2
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MAT-POS-4223bc15-27
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MAT-POS-5cd9ea36-17
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MAR-UCB-6ab2ec87-2
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PET-UNK-162c14b2-1
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MAT-POS-4223bc15-18
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MAT-POS-61f37a1a-12
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PET-UNK-d61f3ea6-1
0.510
EDG-MED-5d232de5-6
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DAR-DIA-0f2f46c9-12
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EDG-MED-5d232de5-5
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EDJ-MED-eb111c00-1
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MIC-UNK-91acba05-2
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RAL-THA-8416115c-2
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MIC-UNK-91acba05-6
0.505
PET-UNK-1b92fa34-1
0.505
MAT-POS-dd3ad2b5-3
0.505
RAL-THA-8416115c-3
0.505
MAT-POS-dd3ad2b5-5
0.505
EDJ-MED-e9a22d5d-1
0.505
CLI-TLC-3a13eaf2-1
0.505
EDJ-MED-1981ceba-2
0.505
MAT-POS-4223bc15-20
0.505
RAL-THA-6e4c80cf-2
0.505
MAT-POS-4223bc15-24
0.505
MAT-POS-8293a91a-4
0.500