Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCN(CC(F)(F)CO)CC1 |
MW: | 558.18 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 95.0 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 9.25784418653086 |
Order Status | |
Shipped: | synthesis in progress |
ALP-UNI-3496895b-10
1.000
KAD-UNI-8a629cb0-21
1.000
ALP-UNI-8e43a71e-10
1.000
ALP-UNI-3496895b-8
0.786
ALP-UNI-8e43a71e-8
0.786
KAD-UNI-8a629cb0-33
0.772
ALP-POS-5bb456a5-9
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ALP-POS-2da19ca7-1
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ALP-POS-5bb456a5-10
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ALP-UNI-3496895b-7
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ALP-UNI-8e43a71e-7
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EDG-MED-ba1ac7b9-5
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EDJ-MED-d203f206-37
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EDG-MED-ba1ac7b9-28
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KAD-UNI-8a629cb0-8
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ALP-UNI-76695c4f-5
0.718
EDG-MED-ba1ac7b9-32
0.712
KAD-UNI-8a629cb0-15
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ALP-UNI-76695c4f-7
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ALP-UNI-3496895b-6
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ALP-UNI-8e43a71e-6
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KAD-UNI-80f122c8-4
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ALP-POS-5bb456a5-7
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ALP-POS-2da19ca7-2
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EDG-MED-ba1ac7b9-33
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ALP-POS-5bb456a5-8
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ALP-UNI-76695c4f-8
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ALP-UNI-8e43a71e-9
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ALP-UNI-3496895b-9
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KAD-UNI-8a629cb0-17
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KAD-UNI-80f122c8-5
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EDJ-MED-d203f206-9
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EDG-MED-ba1ac7b9-31
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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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MAT-POS-45b13633-4
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EDG-MED-971238d3-10
0.689
RAL-THA-58fba2bc-1
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ALP-POS-67d5babe-4
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EDJ-MED-d203f206-10
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EDJ-MED-d203f206-26
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EDJ-MED-d203f206-43
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EDG-MED-ba1ac7b9-4
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EDG-MED-ba1ac7b9-25
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ALP-UNI-76695c4f-10
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KAD-UNI-8a629cb0-31
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EDG-MED-ba1ac7b9-2
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EDG-MED-ba1ac7b9-27
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EDJ-MED-d203f206-40
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ALP-UNI-76695c4f-2
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EDG-MED-ba1ac7b9-7
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ALP-POS-2da19ca7-4
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KAD-UNI-8a629cb0-5
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ALP-UNI-8e43a71e-11
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ALP-UNI-3496895b-11
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EDG-MED-ba1ac7b9-14
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EDJ-MED-d203f206-25
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EDJ-MED-d203f206-39
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EDJ-MED-d203f206-36
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MAT-POS-5d65ec79-2
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MAT-POS-f9802937-5
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MAT-POS-f9802937-6
0.655
EDJ-MED-d203f206-38
0.653
EDG-MED-ba1ac7b9-1
0.653
DAR-DIA-ecdbc7dd-13
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EDJ-MED-d203f206-41
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EDJ-MED-d203f206-22
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MAT-POS-f9802937-3
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MAT-POS-f9802937-4
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MAT-POS-5d65ec79-1
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MAT-POS-45b13633-5
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KAD-UNI-8a629cb0-42
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EDJ-MED-d203f206-19
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EDG-MED-971238d3-2
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MAT-POS-9db1e783-2
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EDJ-MED-d203f206-20
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EDG-MED-ba1ac7b9-20
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EDJ-MED-d203f206-30
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EDG-MED-ba1ac7b9-15
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EDJ-MED-d203f206-35
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KAD-UNI-8a629cb0-7
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ALP-UNI-76695c4f-4
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KAD-UNI-80f122c8-3
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EDJ-MED-d203f206-27
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DAR-DIA-ecdbc7dd-18
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EDG-MED-ba1ac7b9-13
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ALP-UNI-76695c4f-3
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ALP-POS-2da19ca7-3
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KAD-UNI-8a629cb0-6
0.633
ALP-POS-67d5babe-3
0.630
EDJ-MED-d203f206-15
0.629
EDJ-MED-d203f206-42
0.629
ALP-POS-5bb456a5-3
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ALP-POS-2da19ca7-6
0.628
ALP-POS-5bb456a5-4
0.628
RAL-THA-58fba2bc-3
0.627
EDG-MED-971238d3-3
0.627
DAR-DIA-ecdbc7dd-4
0.625
EDJ-MED-d203f206-32
0.625