Molecular Properties | |
SMILES: | O=C1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2N1 |
MW: | 351.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-14 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDJ-MED-a6bd50ad-1
1.000
MAT-POS-43c25e9b-1
1.000
MAT-POS-43c25e9b-2
1.000
MAT-POS-8d5af1ef-1
0.732
VLA-UNK-56836b69-1
0.711
MIC-UNK-8758c41d-3
0.711
ALP-POS-fe871b40-16
0.711
ALP-POS-fe871b40-15
0.706
MAT-POS-f39f51fd-1
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MAR-UCB-6ab2ec87-1
0.655
ALP-POS-fe871b40-14
0.636
ALP-POS-fe871b40-13
0.633
EDJ-MED-92e193ae-2
0.632
MIC-UNK-91acba05-5
0.632
EDJ-MED-92e193ae-1
0.632
ALP-POS-477dc5b7-2
0.632
ROB-UNI-322e8f70-2
0.625
VLA-UNK-9a7dc93f-3
0.607
VLA-UNK-f49ebb87-1
0.602
BEN-BAS-c2bc0d80-1
0.598
ROB-UNI-322e8f70-1
0.591
PET-UNK-c0891748-6
0.589
PET-UNK-c0891748-12
0.589
MIC-UNK-45817b9b-2
0.582
ALF-EVA-b701bd13-6
0.565
MAR-UCB-6ab2ec87-2
0.562
ROB-UNI-322e8f70-3
0.560
MAT-POS-865c3497-1
0.560
MAT-POS-865c3497-2
0.560
MIC-UNK-91acba05-1
0.560
MAT-POS-22e8b45a-1
0.560
EDJ-MED-12c115cc-1
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EDJ-MED-12c115cc-2
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MAT-POS-f7918075-2
0.557
MAT-POS-bbbbc21a-2
0.557
EDJ-MED-eb111c00-1
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MIC-UNK-91acba05-2
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MAT-POS-2e8b2191-3
0.554
MAT-POS-d8472c4f-5
0.549
MAR-UCB-6ab2ec87-6
0.549
MAT-POS-3ccb8ef6-1
0.549
MAT-POS-3ccb8ef6-2
0.549
BEN-DND-f2e727cd-5
0.549
MIC-UNK-91acba05-4
0.549
ALP-POS-477dc5b7-1
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BEN-DND-f2e727cd-6
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MAT-POS-dd3ad2b5-1
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EDJ-MED-12c4873b-8
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EDJ-MED-43f8f7d6-8
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RAL-THA-8f106089-1
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RAL-THA-8f106089-2
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PET-UNK-022eab87-1
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MAR-UCB-6ab2ec87-7
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ALP-POS-a577c8a2-2
0.543
RAL-THA-4aa06b95-1
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ALP-POS-a577c8a2-1
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MAT-POS-af1eef35-3
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BEN-DND-d6f8d3c6-1
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MIC-UNK-91acba05-6
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EDG-MED-5d232de5-5
0.538
EDG-MED-5d232de5-6
0.538
RAL-THA-8416115c-2
0.538
ADA-UCB-dc2b944c-16
0.538
EDJ-MED-e18764cb-2
0.538
MAT-POS-2e8b2191-2
0.538
ALP-UNI-c3ef0aba-2
0.533
LUO-POS-868e8996-14
0.533
MIC-UNK-91acba05-3
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MAT-POS-78e1d523-1
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MAT-POS-b3e365b9-1
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MAT-POS-66a736cf-1
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MAT-POS-f7918075-1
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MAT-POS-b3e365b9-2
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LUO-POS-868e8996-13
0.533
VLA-UCB-1dbca3b4-15
0.533
BEN-DND-f2e727cd-4
0.533
ALF-EVA-5b152d2f-1
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MAT-POS-4223bc15-28
0.530
EDJ-MED-12c4873b-7
0.529
RAL-THA-952697e1-2
0.529
RAL-THA-952697e1-1
0.529
LUO-POS-ba0d8665-1
0.527
ALP-POS-966f8da6-2
0.526
EDG-MED-5d232de5-3
0.526
MAK-UNK-8be7dca9-10
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RAL-THA-c11c1343-1
0.526
EDG-MED-5d232de5-4
0.526
PET-UNK-4d432d33-6
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EDJ-MED-eb111c00-3
0.526
MAT-POS-2e8b2191-1
0.526
PET-UNK-4d432d33-2
0.526
RAL-THA-4aa06b95-3
0.526
MAT-POS-acfe5bae-3
0.525
EDJ-MED-eb111c00-2
0.525
PET-UNK-1b92fa34-1
0.521
PET-UNK-c0891748-4
0.521
PET-UNK-c0891748-10
0.521
DAR-DIA-0f2f46c9-12
0.521
MAT-POS-24589f88-3
0.521
MAT-POS-dd3ad2b5-2
0.521