Molecular Properties | |
SMILES: | O=C1CCC2CN1CC(COCC1(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc31)O2 |
MW: | 521.17 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 89.99 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
EDJ-MED-fcba3f31-9
0.675
EDJ-MED-fcba3f31-11
0.659
EDJ-MED-fcba3f31-6
0.656
RAL-THA-e002e396-12
0.655
RAL-THA-e002e396-11
0.643
EDJ-MED-fcba3f31-4
0.636
ALP-POS-9c80c481-1
0.633
EDJ-MED-fcba3f31-5
0.623
MAT-POS-fc9ede84-1
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EDJ-MED-fcba3f31-2
0.618
RAL-THA-e002e396-13
0.617
EDJ-MED-fcba3f31-10
0.616
EDJ-MED-fcba3f31-8
0.613
EDJ-MED-fcba3f31-7
0.611
EDJ-MED-fcba3f31-3
0.608
EDJ-MED-fcba3f31-1
0.605
EDJ-MED-00143744-2
0.598
EDJ-MED-fcba3f31-12
0.597
DAR-DIA-ecdbc7dd-4
0.597
DAR-DIA-ecdbc7dd-13
0.593
EDJ-MED-60df06f3-1
0.592
EDJ-MED-00143744-1
0.592
DAR-DIA-ecdbc7dd-11
0.590
DAR-DIA-ecdbc7dd-3
0.587
LEE-CAM-7ab9b158-3
0.580
MAT-POS-45b13633-3
0.580
MAT-POS-e6dd326d-3
0.580
ALP-POS-477dc5b7-3
0.574
EDG-MED-971238d3-2
0.573
MAT-POS-9db1e783-2
0.573
LEE-CAM-7ab9b158-1
0.573
EDJ-MED-f893e2a1-8
0.570
RAL-THA-e002e396-6
0.570
LEE-CAM-7ab9b158-2
0.568
DAR-DIA-ecdbc7dd-2
0.568
MAT-POS-2bb0cf2b-1
0.568
EDG-MED-971238d3-5
0.568
MAT-POS-e6dd326d-1
0.568
MAT-POS-45b13633-1
0.568
DAR-DIA-ecdbc7dd-5
0.565
MAT-POS-e6dd326d-2
0.563
MAT-POS-45b13633-2
0.563
RAL-THA-e002e396-1
0.562
RAL-THA-e002e396-2
0.562
EDJ-MED-15e90dfc-6
0.562
DAR-DIA-ecdbc7dd-16
0.560
EDG-MED-971238d3-6
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EDG-MED-971238d3-10
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MAT-POS-45b13633-4
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RAL-THA-58fba2bc-3
0.558
EDG-MED-971238d3-9
0.558
EDG-MED-971238d3-3
0.558
JAG-UCB-706446eb-3
0.558
RAL-THA-58fba2bc-1
0.558
MAT-POS-5d65ec79-2
0.557
MAT-POS-f9802937-5
0.557
MAT-POS-f9802937-6
0.557
DAR-DIA-ecdbc7dd-18
0.556
DAR-DIA-6a508060-9
0.555
VLA-UCB-05e51b3f-13
0.555
VLA-UCB-50c39ae8-10
0.555
EDJ-MED-d203f206-13
0.554
EDJ-MED-d203f206-29
0.553
MAT-POS-45b13633-5
0.553
EDJ-MED-28ec730d-2
0.553
RAL-THA-e002e396-8
0.552
EDJ-MED-40433386-5
0.550
MAT-POS-e6dd326d-11
0.548
RAL-THA-e002e396-5
0.548
EDJ-MED-15e90dfc-3
0.548
EDJ-MED-424a8a89-1
0.548
MAT-POS-e6dd326d-10
0.548
EDJ-MED-40433386-9
0.547
EDG-MED-971238d3-8
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MAT-POS-e6dd326d-4
0.545
EDG-MED-971238d3-7
0.545
MAT-POS-e6dd326d-9
0.545
EDJ-MED-d203f206-23
0.544
MAT-POS-e6dd326d-6
0.544
RAL-THA-e002e396-7
0.544
RAL-THA-e002e396-3
0.543
EDJ-MED-d203f206-34
0.542
EDJ-MED-d203f206-7
0.542
EDG-MED-ba1ac7b9-2
0.542
KAD-UNI-8a629cb0-14
0.541
MAT-POS-5d65ec79-1
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MAT-POS-f9802937-3
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EDJ-MED-424a8a89-2
0.540
MAT-POS-f9802937-4
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MAT-POS-e6dd326d-5
0.540
EDJ-MED-28ec730d-1
0.540
EDJ-MED-15e90dfc-5
0.539
EDJ-MED-f893e2a1-9
0.539
CHO-MSK-a31cca77-1
0.538
EDJ-MED-d203f206-20
0.538
RAL-THA-e002e396-9
0.538
EDJ-MED-d203f206-1
0.538
DAR-DIA-ecdbc7dd-1
0.538
EDJ-MED-d203f206-22
0.537
KAD-UNI-8a629cb0-48
0.537