Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCN(C2CCOC2)CC1 |
MW: | 534.2 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.0 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 46.5245268477098 |
Order Status | |
Ordered: | 2021-01-14 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
ALP-POS-2da19ca7-2
1.000
ALP-POS-5bb456a5-7
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ALP-POS-5bb456a5-8
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ALP-UNI-3496895b-6
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ALP-UNI-3496895b-7
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ALP-UNI-8e43a71e-7
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EDJ-MED-d203f206-37
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KAD-UNI-80f122c8-5
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ALP-UNI-3496895b-9
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ALP-UNI-76695c4f-8
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ALP-UNI-8e43a71e-9
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ALP-UNI-8e43a71e-8
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EDG-MED-ba1ac7b9-4
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EDG-MED-ba1ac7b9-5
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ALP-UNI-76695c4f-5
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ALP-POS-5bb456a5-9
0.700
ALP-UNI-8e43a71e-10
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ALP-POS-67d5babe-4
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ALP-POS-5bb456a5-10
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ALP-UNI-3496895b-10
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ALP-UNI-76695c4f-9
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ALP-POS-2da19ca7-5
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ALP-POS-5bb456a5-5
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ALP-POS-5bb456a5-6
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EDG-MED-ba1ac7b9-25
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EDJ-MED-d203f206-10
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EDG-MED-ba1ac7b9-14
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KAD-UNI-8a629cb0-31
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ALP-UNI-76695c4f-10
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EDG-MED-971238d3-10
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MAT-POS-45b13633-4
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RAL-THA-58fba2bc-1
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EDJ-MED-d203f206-22
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KAD-UNI-80f122c8-3
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KAD-UNI-8a629cb0-7
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ALP-UNI-76695c4f-4
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EDG-MED-ba1ac7b9-13
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ALP-POS-67d5babe-3
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MAT-POS-f9802937-5
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MAT-POS-5d65ec79-2
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MAT-POS-f9802937-6
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EDJ-MED-d203f206-30
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EDG-MED-ba1ac7b9-15
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EDJ-MED-d203f206-14
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ALP-UNI-76695c4f-6
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ALP-UNI-3496895b-2
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ALP-UNI-8e43a71e-2
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MAT-POS-f9802937-3
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MAT-POS-5d65ec79-1
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MAT-POS-45b13633-5
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MAT-POS-f9802937-4
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EDJ-MED-d203f206-8
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EDG-MED-ba1ac7b9-23
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EDJ-MED-d203f206-15
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EDJ-MED-d203f206-20
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