Molecular Properties | |
SMILES: | O=C(O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 396.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.52 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 31.398692270522 |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | 2021-04-14 |
ALP-UNI-8d415491-1
MAT-POS-45b13633-4
1.000
RAL-THA-58fba2bc-1
1.000
MAT-POS-5d65ec79-2
0.828
MAT-POS-f9802937-6
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MAT-POS-f9802937-5
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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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MAT-POS-9db1e783-2
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EDG-MED-971238d3-2
0.800
EDG-MED-971238d3-9
0.793
JAG-UCB-706446eb-3
0.793
EDG-MED-971238d3-5
0.770
MAT-POS-2bb0cf2b-1
0.770
MAT-POS-e6dd326d-1
0.770
MAT-POS-45b13633-1
0.770
MAT-POS-e6dd326d-2
0.761
MAT-POS-45b13633-2
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EDJ-MED-d203f206-20
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RAL-THA-e002e396-1
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RAL-THA-e002e396-2
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RAL-THA-58fba2bc-3
0.753
EDG-MED-971238d3-3
0.753
EDG-MED-971238d3-6
0.753
MAT-POS-e6dd326d-11
0.750
ALP-UNI-76695c4f-10
0.747
KAD-UNI-8a629cb0-31
0.747
RAL-THA-e002e396-6
0.747
MAT-POS-45b13633-3
0.744
DAR-DIA-ecdbc7dd-13
0.744
MAT-POS-e6dd326d-3
0.744
CHO-MSK-a31cca77-4
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EDJ-MED-d203f206-2
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CHO-MSK-a31cca77-1
0.742
EDJ-MED-d203f206-1
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EDG-MED-ba1ac7b9-3
0.742
RAL-THA-e002e396-11
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JAG-UCB-706446eb-6
0.735
EDG-MED-ba1ac7b9-8
0.735
RAL-THA-e002e396-8
0.734
RAL-THA-e002e396-5
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MAT-POS-e6dd326d-4
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MAT-POS-e6dd326d-9
0.728
EDG-MED-971238d3-7
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EDG-MED-971238d3-8
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DAR-DIA-ecdbc7dd-4
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EDJ-MED-f893e2a1-8
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EDJ-MED-d203f206-7
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EDG-MED-ba1ac7b9-2
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EDG-MED-ba1ac7b9-6
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EDJ-MED-d203f206-13
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EDJ-MED-d203f206-34
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RAL-THA-e002e396-7
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EDJ-MED-424a8a89-2
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MAT-POS-78e1d523-2
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EDJ-MED-28ec730d-2
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EDJ-MED-d203f206-18
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EDG-MED-ba1ac7b9-1
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EDG-MED-ba1ac7b9-7
0.720
CHO-MSK-a31cca77-3
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EDJ-MED-d203f206-37
0.720
RAL-THA-e002e396-3
0.719
RAL-THA-e002e396-13
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KAD-UNI-8a629cb0-42
0.713
EDG-MED-ba1ac7b9-13
0.713
CHO-MSK-a31cca77-2
0.713
EDJ-MED-d203f206-19
0.713
ALP-POS-477dc5b7-3
0.713
DAR-DIA-ecdbc7dd-3
0.713
MAT-POS-e6dd326d-8
0.713
MAT-POS-e6dd326d-12
0.713
RAL-THA-e002e396-12
0.713
JAG-UCB-706446eb-2
0.708
ALP-UNI-3496895b-16
0.706
JAG-UCB-706446eb-7
0.706
EDJ-MED-d203f206-12
0.706
ALP-UNI-8e43a71e-16
0.706
EDJ-MED-d203f206-29
0.706
MAT-POS-e6dd326d-6
0.705
EDJ-MED-d203f206-9
0.702
EDJ-MED-f893e2a1-3
0.701
ALP-UNI-76695c4f-6
0.699
KAD-UNI-80f122c8-2
0.699
EDJ-MED-d203f206-26
0.699
KAD-UNI-8a629cb0-10
0.699
KAD-UNI-8a629cb0-46
0.699
ALP-UNI-3496895b-3
0.699
EDJ-MED-d203f206-22
0.699
EDJ-MED-d203f206-41
0.699
EDJ-MED-d203f206-43
0.699
ALP-UNI-8e43a71e-3
0.699
EDG-MED-ba1ac7b9-24
0.699
DAR-DIA-ecdbc7dd-11
0.698
EDJ-MED-28ec730d-1
0.698
DAR-DIA-ecdbc7dd-5
0.698
MAT-POS-e6dd326d-5
0.698
EDJ-MED-4c7486ba-9
0.697
EDJ-MED-40433386-7
0.697
EDJ-MED-40433386-3
0.697