Molecular Properties | |
SMILES: | O=C(CC1(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: | 6.68428658782633 |
Order Status | |
Shipped: | 2021-02-11 |
ALP-POS-2da19ca7-2
1.000
ALP-POS-5bb456a5-8
1.000
ALP-POS-5bb456a5-7
1.000
EDG-MED-ba1ac7b9-31
0.899
EDG-MED-ba1ac7b9-32
0.872
ALP-UNI-76695c4f-7
0.723
ALP-UNI-8e43a71e-6
0.723
KAD-UNI-80f122c8-4
0.723
ALP-UNI-3496895b-6
0.723
KAD-UNI-8a629cb0-15
0.723
ALP-UNI-3496895b-7
0.714
ALP-UNI-8e43a71e-7
0.714
EDJ-MED-d203f206-37
0.713
ALP-UNI-3496895b-9
0.712
KAD-UNI-8a629cb0-17
0.712
ALP-UNI-76695c4f-8
0.712
KAD-UNI-80f122c8-5
0.712
ALP-UNI-8e43a71e-9
0.712
ALP-UNI-8e43a71e-8
0.712
ALP-UNI-3496895b-8
0.712
EDJ-MED-d203f206-26
0.709
EDJ-MED-d203f206-43
0.709
EDG-MED-ba1ac7b9-4
0.708
ALP-UNI-76695c4f-5
0.706
EDG-MED-ba1ac7b9-5
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EDG-MED-ba1ac7b9-28
0.706
KAD-UNI-8a629cb0-8
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KAD-UNI-8a629cb0-33
0.700
ALP-POS-2da19ca7-1
0.700
ALP-POS-5bb456a5-9
0.700
ALP-POS-67d5babe-4
0.700
ALP-UNI-76695c4f-9
0.700
KAD-UNI-8a629cb0-21
0.700
ALP-UNI-8e43a71e-10
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ALP-UNI-3496895b-10
0.700
ALP-POS-5bb456a5-10
0.700
ALP-POS-2da19ca7-5
0.694
EDG-MED-ba1ac7b9-25
0.694
ALP-POS-5bb456a5-5
0.694
ALP-POS-5bb456a5-6
0.694
EDJ-MED-d203f206-32
0.694
EDJ-MED-d203f206-10
0.686
EDJ-MED-d203f206-38
0.683
ALP-UNI-76695c4f-2
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ALP-POS-2da19ca7-4
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KAD-UNI-8a629cb0-5
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EDG-MED-ba1ac7b9-2
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EDJ-MED-d203f206-40
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EDG-MED-ba1ac7b9-7
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EDG-MED-ba1ac7b9-1
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EDJ-MED-d203f206-9
0.669
EDG-MED-ba1ac7b9-20
0.669
EDG-MED-ba1ac7b9-14
0.667
ALP-UNI-8e43a71e-11
0.667
ALP-UNI-3496895b-11
0.667
EDJ-MED-d203f206-25
0.664
ALP-UNI-76695c4f-10
0.664
KAD-UNI-8a629cb0-31
0.664
MAT-POS-45b13633-4
0.661
EDG-MED-971238d3-10
0.661
RAL-THA-58fba2bc-1
0.661
JAG-UCB-706446eb-7
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EDJ-MED-d203f206-41
0.653
EDJ-MED-d203f206-22
0.653
KAD-UNI-8a629cb0-7
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ALP-UNI-76695c4f-4
0.651
KAD-UNI-80f122c8-3
0.651
EDJ-MED-d203f206-35
0.651
EDJ-MED-d203f206-27
0.651
EDJ-MED-d203f206-33
0.650
EDJ-MED-d203f206-39
0.650
KAD-UNI-8a629cb0-42
0.650
EDJ-MED-d203f206-19
0.650
EDG-MED-ba1ac7b9-13
0.650
ALP-POS-67d5babe-3
0.646
EDJ-MED-d203f206-36
0.645
MAT-POS-5d65ec79-2
0.643
MAT-POS-f9802937-6
0.643
MAT-POS-f9802937-5
0.643
EDG-MED-ba1ac7b9-15
0.642
EDJ-MED-d203f206-30
0.642
EDJ-MED-d203f206-3
0.641
EDJ-MED-d203f206-14
0.641
DAR-DIA-ecdbc7dd-13
0.640
ALP-UNI-3496895b-3
0.639
ALP-UNI-76695c4f-6
0.639
ALP-UNI-8e43a71e-3
0.639
KAD-UNI-80f122c8-2
0.639
KAD-UNI-8a629cb0-10
0.639
ALP-UNI-3496895b-2
0.638
ALP-UNI-8e43a71e-2
0.638
MAT-POS-5d65ec79-1
0.637
MAT-POS-f9802937-3
0.637
MAT-POS-45b13633-5
0.637
MAT-POS-f9802937-4
0.637
EDJ-MED-d203f206-8
0.637
EDG-MED-ba1ac7b9-23
0.635
EDJ-MED-d203f206-15
0.632
EDJ-MED-d203f206-42
0.632
EDJ-MED-d203f206-20
0.630