Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCN(Cc2ncc[nH]2)c2ccc(Cl)cc21 |
MW: | 417.14 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 73.91 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.780118365068963 |
IC50 (µM) - RapidFire: | 1.21254056445522 |
Order Status | |
Ordered: | 2020-12-18 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-13
0.768
RAL-THA-8416115c-1
0.750
RAL-THA-8416115c-12
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RAL-THA-8416115c-11
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ALP-POS-966f8da6-1
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RAL-THA-8416115c-6
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ALP-UNI-b33a865d-1
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RAL-THA-8416115c-14
0.730
RAL-THA-4aa06b95-6
0.705
RAL-THA-8416115c-3
0.705
RAL-THA-8416115c-4
0.691
RAL-THA-8416115c-7
0.691
RAL-THA-8416115c-8
0.684
RAL-THA-8416115c-10
0.670
RAL-THA-8416115c-9
0.663
RAL-THA-4aa06b95-7
0.663
RAL-THA-4aa06b95-1
0.610
RAL-THA-4aa06b95-2
0.608
EDG-MED-5d232de5-6
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DAR-DIA-0f2f46c9-12
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EDG-MED-5d232de5-5
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RAL-THA-8416115c-2
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MIC-UNK-91acba05-6
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DAR-DIA-0f2f46c9-10
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ALP-POS-a577c8a2-3
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DAR-DIA-0f2f46c9-4
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ALP-POS-966f8da6-2
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DAR-DIA-0f2f46c9-5
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DAR-DIA-0f2f46c9-6
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RAL-THA-c11c1343-1
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EDG-MED-5d232de5-3
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EDG-MED-5d232de5-4
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DAR-DIA-0f2f46c9-3
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DAR-DIA-0f2f46c9-1
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DAR-DIA-0f2f46c9-2
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RAL-THA-4aa06b95-4
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DAR-DIA-0f2f46c9-11
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RAL-THA-4aa06b95-5
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RAL-THA-4aa06b95-3
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DAR-DIA-0f2f46c9-7
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DAR-DIA-0f2f46c9-8
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DAR-DIA-0f2f46c9-9
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MAR-UCB-6ab2ec87-6
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MIC-UNK-91acba05-5
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MAR-UCB-6ab2ec87-7
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EDJ-MED-92e193ae-1
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ALP-POS-477dc5b7-2
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EDJ-MED-92e193ae-2
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ALP-POS-d054b76b-1
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MIC-UNK-45817b9b-2
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MAT-POS-4223bc15-32
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VLA-UCB-1dbca3b4-15
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MIC-UNK-91acba05-4
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LUO-POS-868e8996-13
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LUO-POS-868e8996-14
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MAT-POS-b3e365b9-1
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MAT-POS-f7918075-1
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MIC-UNK-91acba05-3
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MAT-POS-b3e365b9-2
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ALP-POS-477dc5b7-1
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MAT-POS-66a736cf-1
0.510
MAR-UCB-6ab2ec87-1
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PET-UNK-4d432d33-2
0.505
PET-UNK-162c14b2-1
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PET-UNK-4d432d33-6
0.505
MAT-POS-61f37a1a-12
0.505
ROB-UNI-611831f5-2
0.500
ALP-POS-fe871b40-6
0.500
MAT-POS-4223bc15-30
0.500
PET-UNK-37251634-6
0.496
PET-UNK-37251634-14
0.496
BEN-DND-f2e727cd-6
0.495
MAT-POS-dd3ad2b5-1
0.495
ALP-UNI-ba800595-1
0.495
MAT-POS-78e1d523-1
0.495
EDJ-MED-fa7708b3-3
0.492
EDJ-MED-eb111c00-3
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MAT-POS-865c3497-2
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MIC-UNK-91acba05-1
0.491
ROB-UNI-322e8f70-3
0.491
MAT-POS-865c3497-1
0.491
MAT-POS-22e8b45a-1
0.491
EDJ-MED-487c5e9f-5
0.487
PET-UNK-5ba9a1cb-3
0.487
EDJ-MED-e9a22d5d-1
0.486
ALP-POS-fe871b40-2
0.486
EDJ-MED-eb111c00-1
0.486
MIC-UNK-91acba05-2
0.486
EDJ-MED-fa7708b3-2
0.483
PET-UNK-37251634-7
0.483
PET-UNK-37251634-15
0.483
ALP-POS-d054b76b-3
0.482
EDJ-MED-43f8f7d6-7
0.482
MAT-POS-4223bc15-33
0.482
RAL-THA-8f106089-4
0.482
EDJ-MED-12c4873b-6
0.482
RAL-THA-8f106089-3
0.482
MAT-POS-4223bc15-26
0.482