Molecular Properties | |
SMILES: | CS(C)(=O)=NCc1ccc2c(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 443.11 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.65 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-04-27 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
MAT-POS-b3e365b9-1
JAG-UCB-571deb56-2
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JAG-UCB-571deb56-4
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ALP-POS-82da25a3-1
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JAG-UCB-571deb56-5
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MAK-UNK-8be7dca9-5
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JAG-UCB-571deb56-6
0.727
ALF-EVA-5b152d2f-8
0.716
MAK-UNK-8be7dca9-2
0.716
MAT-POS-7ddaf7de-2
0.713
ERI-UCB-8d4e5055-3
0.713
TET-ENA-382364b7-1
0.680
MAT-POS-1ecf5680-1
0.667
JAG-UCB-571deb56-7
0.667
MAT-POS-7ddaf7de-1
0.651
JAG-UCB-571deb56-3
0.651
ERI-UCB-8d4e5055-1
0.648
MAK-UNK-8be7dca9-1
0.648
PET-UNK-03fd2068-1
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MAK-UNK-8be7dca9-9
0.646
PET-UNK-6314f867-1
0.643
MAT-POS-1ecf5680-2
0.634
ERI-UCB-8d4e5055-4
0.633
BEN-DND-c852c98b-5
0.633
MAT-POS-7ddaf7de-3
0.630
ERI-UCB-8d4e5055-6
0.630
ALF-EVA-5b152d2f-5
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BEN-DND-4f474d93-3
0.615
ALP-POS-ce760d3f-2
0.615
BEN-DND-4f474d93-1
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VLA-UCB-1dbca3b4-15
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MAT-POS-b3e365b9-2
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MAT-POS-b3e365b9-1
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MAT-POS-f7918075-1
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ALP-POS-82da25a3-2
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ALF-EVA-5b152d2f-2
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RUB-POS-1325a9ea-10
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RAL-THA-b9d6aec1-1
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RAL-THA-b9d6aec1-2
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WIL-UCB-7ba4ac3a-1
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RAL-THA-b9d6aec1-3
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PET-UNK-ee8352fa-5
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MAK-UNK-8be7dca9-8
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PET-UNK-f4e47ebd-4
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PET-UNK-b38839dc-5
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PET-UNK-b38839dc-4
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BEN-DND-4f474d93-2
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BEN-DND-c852c98b-4
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ALP-POS-ce760d3f-7
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ALP-POS-ce760d3f-3
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EDJ-MED-ba7e64f2-1
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EDG-MED-5d232de5-1
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EDG-MED-5d232de5-2
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ALP-POS-696356e4-1
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MAT-POS-419aafdb-1
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PET-UNK-ee8352fa-6
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BEN-DND-c852c98b-3
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PET-UNK-ee8352fa-4
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MAT-POS-f9802937-7
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PET-UNK-b1ef24dc-7
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ALF-EVA-ced740bd-1
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MAK-UNK-8be7dca9-7
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ERI-UCB-b3e6b0c2-10
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MAT-POS-8293a91a-3
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PET-UNK-f4e47ebd-3
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MAT-POS-14f31916-3
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MAT-POS-419aafdb-2
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MAK-UNK-f481d203-1
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MAK-UNK-919546f0-1
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MAK-UNK-f481d203-2
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PET-UNK-b1ef24dc-8
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MIC-UNK-7574fcc6-2
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ADA-UCB-dc2b944c-8
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BEN-DND-c852c98b-1
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BEN-DND-c852c98b-7
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PET-UNK-b38839dc-3
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BEN-DND-a7517465-1
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MAT-POS-d8472c4f-6
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MAT-POS-14f31916-1
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MAT-POS-acfe5bae-1
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MAT-POS-ee5e8e94-2
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ALF-EVA-5b152d2f-7
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NAU-LAT-b7d8c353-8
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MAK-UNK-8be7dca9-6
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EDJ-MED-378a25ea-33
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MAT-POS-14f31916-5
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PET-UNK-e274cad4-7
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BEN-DND-a7517465-3
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BEN-DND-a7517465-5
0.539
BEN-DND-a7517465-2
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PET-UNK-7f7e354d-1
0.539
MIC-UNK-b904ca85-2
0.539
MAT-POS-acfe5bae-5
0.538
MAT-POS-8040981b-1
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MAT-POS-14f31916-2
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BEN-DND-c852c98b-6
0.538
MAT-POS-ee5e8e94-1
0.538
TET-ENA-1a76f195-1
0.538
MAT-POS-a2421bb6-3
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BEN-DND-c852c98b-2
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MAT-POS-8695a11f-2
0.531