Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CCNCC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 361.13 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 81.07 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ROB-UNI-569bc02e-1
1.000
MAT-POS-968e8d9c-1
0.840
JAG-UCB-a3ef7265-20
0.840
JAG-UCB-119787ef-1
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ERI-UCB-9c7ec71b-4
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EDG-MED-fe7487f8-8
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ERI-UCB-a38d41be-1
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JOH-UNI-d0d90dc1-3
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JAG-UCB-c61058a9-21
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ROB-UNI-569bc02e-7
0.678
JAG-UCB-c61058a9-32
0.640
RAL-THA-b74298ba-1
0.639
NAU-LAT-8502cac5-2
0.627
JAG-UCB-c61058a9-18
0.627
MIC-UNK-deda7a44-5
0.627
EDG-MED-fe7487f8-9
0.624
JAG-UCB-c61058a9-17
0.624
RAL-THA-b74298ba-3
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BRU-THA-a358fbdd-3
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RAL-THA-b74298ba-2
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JAG-UCB-c61058a9-34
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RAL-THA-6ca1b233-3
0.605
EDG-MED-a20b5824-1
0.605
EDG-MED-4b32601a-2
0.602
EDG-MED-fe7487f8-1
0.602
ANT-OPE-3d7cb11b-3
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EDG-MED-fe7487f8-3
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RAL-THA-6ca1b233-1
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RAL-THA-6ca1b233-2
0.591
RAL-THA-b74298ba-4
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NAU-LAT-8502cac5-11
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RAL-THA-6ca1b233-4
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RAL-THA-04c5403f-2
0.576
MAT-UCB-70f7c0f7-6
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JAG-UCB-c61058a9-35
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JAG-UCB-c61058a9-44
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JAG-UCB-c61058a9-37
0.552
NAU-LAT-8502cac5-16
0.551
ROB-UNI-569bc02e-5
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RAL-THA-3d7a794f-1
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PET-UNK-3e029fdc-1
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EDJ-MED-2c295496-1
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EDJ-MED-0e996074-1
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NAU-LAT-8502cac5-15
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JAG-UCB-c61058a9-2
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NAU-LAT-8502cac5-10
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JAG-UCB-c61058a9-22
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MIC-UNK-deda7a44-6
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ANT-OPE-3d7cb11b-4
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NAU-LAT-b7d8c353-7
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RAL-THA-f8a0f917-3
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RAL-THA-3d7a794f-2
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MIK-NEW-7f99bfc4-1
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MIC-UNK-deda7a44-7
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RAL-THA-3d7a794f-4
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JAG-UCB-52b62a6f-11
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JAN-GHE-299e5c7e-3
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EDG-MED-fe7487f8-4
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ANT-OPE-66a89c65-2
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JAN-GHE-f4ca5a00-22
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BAR-COM-ace1b61b-1
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JAG-UCB-52b62a6f-2
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EDG-MED-fe7487f8-2
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PET-UNK-158bee2a-7
0.500
JAG-UCB-c61058a9-41
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VLA-UCB-53bdeed6-2
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EDG-MED-4b32601a-1
0.500
NAU-LAT-b7d8c353-4
0.495
BEN-DND-b89db3f2-2
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VLA-UCB-05e51b3f-19
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VLA-UCB-50c39ae8-12
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JAG-UCB-52b62a6f-3
0.490
EDJ-MED-51d3200d-3
0.490
ROB-UNI-569bc02e-6
0.490
RAL-THA-f8a0f917-2
0.489
MAT-POS-a3f7f96a-2
0.489
JOH-UNI-16fcdf60-1
0.489
BRU-THA-a358fbdd-7
0.489
RAL-THA-9041a04d-6
0.485
MAT-POS-500f4700-1
0.484
EDJ-MED-51d3200d-4
0.484
EDG-MED-fe7487f8-11
0.484
RAL-THA-3d7a794f-3
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BRU-CON-c4e3408a-1
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DAR-DIA-6a508060-6
0.484
JAN-GHE-f4ca5a00-13
0.484
MAT-POS-b3e365b9-3
0.484
MAT-POS-b3e365b9-4
0.484
MIC-UNK-42806bd5-4
0.483
BAR-COM-df4db19c-1
0.480
JAG-UCB-c61058a9-40
0.480
ADA-UCB-b1b30a00-10
0.480
ALP-POS-beec22ab-1
0.480
MAT-POS-14f31916-5
0.480
RAL-THA-9041a04d-3
0.480
MAT-POS-a2421bb6-4
0.479
MAT-POS-8293a91a-1
0.479
MAT-POS-b5c94171-1
0.479
TAT-ENA-0e28ea53-1
0.479
MAT-POS-7ddaf7de-4
0.479