Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCNc2ncc(Cl)cc21 |
MW: | 338.09 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ALP-POS-fe871b40-6
1.000
ALF-EVA-b701bd13-3
0.682
ALF-EVA-82cf4849-5
0.659
ALP-UNI-ba800595-1
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ALP-POS-fe871b40-14
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ALP-POS-477dc5b7-2
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EDJ-MED-92e193ae-1
0.625
MIC-UNK-91acba05-5
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EDJ-MED-92e193ae-2
0.625
MAT-POS-78e1d523-5
0.614
MAT-POS-f9802937-9
0.614
MAT-POS-78e1d523-6
0.614
ALP-UNI-3735e77e-4
0.614
MAT-POS-f9802937-8
0.614
ALP-POS-fe871b40-2
0.598
RAL-THA-05e671eb-25
0.596
EDJ-MED-12f7f543-1
0.596
PET-UNK-c0891748-2
0.596
PET-UNK-c0891748-8
0.596
ALP-POS-fe871b40-5
0.596
DAR-DIA-0587064e-13
0.594
ALF-EVA-82cf4849-1
0.582
DAR-DIA-0587064e-14
0.577
ALP-POS-fe871b40-10
0.576
ALP-UNI-ba800595-2
0.576
DAR-DIA-0587064e-16
0.566
VLA-UNK-8e76d113-2
0.564
ALF-EVA-82cf4849-2
0.564
DAR-DIA-0587064e-11
0.554
DAR-DIA-0587064e-18
0.554
RAL-THA-4aa06b95-1
0.553
ALF-EVA-b701bd13-5
0.548
VLA-UNK-8e76d113-1
0.546
FRA-DIA-b66f7109-4
0.545
DAR-DIA-0587064e-23
0.544
LUO-POS-868e8996-13
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LUO-POS-868e8996-14
0.543
MAT-POS-66a736cf-1
0.543
MIC-UNK-91acba05-3
0.543
RAL-THA-05e671eb-17
0.543
DAR-DIA-0587064e-21
0.538
RAL-THA-05e671eb-16
0.538
ALP-UNI-3735e77e-2
0.538
DAR-DIA-0f2f46c9-5
0.537
DAR-DIA-0f2f46c9-4
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DAR-DIA-0f2f46c9-6
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ALP-POS-ce760d3f-1
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RAL-THA-4aa06b95-4
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VLA-UCB-1dbca3b4-15
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MAT-POS-78e1d523-1
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MAT-POS-b3e365b9-1
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MAT-POS-f7918075-1
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MAT-POS-b3e365b9-2
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ALP-POS-477dc5b7-1
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MIC-UNK-91acba05-4
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ALF-EVA-b701bd13-6
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RAL-THA-05e671eb-18
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DAR-DIA-0f2f46c9-10
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DAR-DIA-0587064e-25
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MAR-UCB-6ab2ec87-1
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EDG-MED-5d232de5-4
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RAL-THA-c11c1343-1
0.521
ALP-POS-966f8da6-2
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EDG-MED-5d232de5-3
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EDG-MED-5d232de5-5
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RAL-THA-8416115c-2
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EDG-MED-5d232de5-6
0.516
ROB-UNI-322e8f70-2
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DAR-DIA-0f2f46c9-12
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MIC-UNK-91acba05-6
0.516
RAL-THA-05e671eb-19
0.515
EDJ-MED-e4b030d8-7
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MAT-POS-43fe65f4-1
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DAR-DIA-0f2f46c9-3
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DAR-DIA-0f2f46c9-1
0.515
DAR-DIA-0f2f46c9-2
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EDJ-MED-e4b030d8-5
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DAR-DIA-6a508060-4
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LAU-MED-88a3970a-6
0.515
LAU-MED-88a3970a-5
0.515
ALF-EVA-b701bd13-4
0.511
ALP-POS-869ac754-2
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RAL-THA-05e671eb-3
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ALF-EVA-5b152d2f-1
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ALP-POS-fe871b40-1
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RAL-THA-05e671eb-20
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EDJ-MED-43f8f7d6-7
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EDJ-MED-12c4873b-6
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RAL-THA-8f106089-3
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RAL-THA-8f106089-4
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DAR-DIA-0587064e-27
0.509
PET-UNK-022eab87-1
0.505
RAL-THA-05e671eb-26
0.505
DAR-DIA-9f765dc6-2
0.505
DAR-DIA-9f765dc6-6
0.505
MAT-POS-22e8b45a-1
0.505
MIC-UNK-91acba05-1
0.505
DAR-DIA-9f765dc6-5
0.505
MAT-POS-865c3497-1
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MAT-POS-865c3497-2
0.505