Molecular Properties | |
SMILES: | NS(=O)(=O)c1[nH]ncc1C(=O)NC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 540.1 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 169.16 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.99007714482579 |
Order Status | |
Ordered: | 2020-12-14 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDJ-MED-4c7486ba-8
1.000
EDJ-MED-4c7486ba-11
1.000
MAT-POS-3b97339c-3
1.000
ALP-UNI-0676e700-13
0.707
MAT-POS-e6dd326d-9
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ALP-UNI-0676e700-11
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MAT-POS-e6dd326d-6
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MAT-POS-e6dd326d-8
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MAT-POS-e6dd326d-12
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MAT-POS-e6dd326d-4
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EDJ-MED-40433386-10
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MAT-POS-45b13633-2
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MAT-POS-e6dd326d-2
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EDJ-MED-4c7486ba-4
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MAT-POS-e6dd326d-7
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EDJ-MED-4c7486ba-1
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EDG-MED-70ae9412-2
0.676
KAD-UNI-8a629cb0-45
0.675
ALP-UNI-0676e700-22
0.675
ALP-UNI-0676e700-26
0.675
ALP-UNI-0676e700-28
0.672
ALP-UNI-0676e700-29
0.669
DAR-DIA-ecdbc7dd-16
0.667
ALP-UNI-0676e700-21
0.664
KAD-UNI-b13decd3-3
0.664
MAT-POS-24589f88-12
0.664
EDJ-MED-15e90dfc-2
0.664
MAT-POS-e6dd326d-5
0.658
EDJ-MED-40433386-4
0.655
EDJ-MED-f893e2a1-8
0.651
RAL-THA-e002e396-6
0.651
ALP-UNI-0676e700-6
0.648
EDJ-MED-15e90dfc-1
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EDJ-MED-f893e2a1-1
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EDJ-MED-15e90dfc-7
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EDJ-MED-424a8a89-2
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KAD-UNI-b13decd3-4
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MAT-POS-24589f88-9
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ALP-UNI-0676e700-15
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MAT-POS-7174c657-4
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EDJ-MED-4c7486ba-3
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EDJ-MED-4c7486ba-6
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EDJ-MED-40433386-3
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EDJ-MED-4c7486ba-9
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MAT-POS-3b97339c-1
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EDJ-MED-4c7486ba-12
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ALP-UNI-0676e700-1
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MAT-POS-e6dd326d-11
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ALP-UNI-0676e700-10
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EDG-MED-971238d3-6
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EDJ-MED-40433386-5
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EDJ-MED-424a8a89-1
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EDJ-MED-15e90dfc-3
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ALP-UNI-0676e700-5
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EDJ-MED-40433386-8
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EDG-MED-971238d3-5
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MAT-POS-45b13633-1
0.636
MAT-POS-e6dd326d-1
0.636
MAT-POS-2bb0cf2b-1
0.636
EDJ-MED-8c98ee63-1
0.635
ALP-UNI-0676e700-17
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RAL-THA-e002e396-8
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RAL-THA-e002e396-1
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RAL-THA-e002e396-2
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ALP-UNI-0676e700-25
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EDG-MED-971238d3-2
0.626
MAT-POS-9db1e783-2
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EDJ-MED-15e90dfc-5
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ALP-UNI-0676e700-20
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ALP-UNI-0676e700-9
0.624
RAL-THA-58fba2bc-3
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EDG-MED-971238d3-3
0.624
MAT-POS-e6dd326d-13
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MAT-POS-e6dd326d-10
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DAR-DIA-6a508060-13
0.623
ALP-UNI-0676e700-3
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DAR-DIA-ecdbc7dd-13
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EDJ-MED-f893e2a1-3
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EDJ-MED-4c7486ba-5
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EDJ-MED-4c7486ba-2
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EDG-MED-70ae9412-1
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EDJ-MED-28ec730d-2
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ALP-UNI-0676e700-23
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EDJ-MED-f893e2a1-9
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ALP-UNI-8e43a71e-16
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ALP-UNI-3496895b-16
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ALP-UNI-0676e700-19
0.612
KAD-UNI-8a629cb0-41
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RAL-THA-e002e396-5
0.611
EDJ-MED-f893e2a1-4
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ALP-UNI-0676e700-24
0.610
ALP-UNI-0676e700-7
0.610
EDG-MED-971238d3-10
0.609
JAG-UCB-706446eb-3
0.609
MAT-POS-45b13633-4
0.609
RAL-THA-58fba2bc-1
0.609
EDG-MED-971238d3-9
0.609
EDJ-MED-f893e2a1-6
0.608