Molecular Properties | |
SMILES: | CCNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 514.11 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 125.54 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.10080048527048 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
EDJ-MED-e69ed63d-14
0.869
EDJ-MED-e69ed63d-16
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EDJ-MED-0186a59b-7
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MAT-POS-2e8b2191-12
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EDJ-MED-e69ed63d-18
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EDJ-MED-d165ed91-4
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EDJ-MED-e69ed63d-12
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EDJ-MED-c99b2211-4
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EDJ-MED-e69ed63d-2
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EDJ-MED-e69ed63d-4
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EDJ-MED-c99b2211-3
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EDJ-MED-e69ed63d-5
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EDJ-MED-d165ed91-3
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EDJ-MED-e69ed63d-10
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EDJ-MED-e69ed63d-7
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PET-UNK-c671f938-7
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EDJ-MED-41558c53-10
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PET-UNK-c671f938-3
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EDJ-MED-41558c53-12
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RAL-THA-a9c31980-1
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LUO-POS-868e8996-3
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LUO-POS-868e8996-4
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EDJ-MED-41558c53-14
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EDJ-MED-41558c53-8
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EDG-MED-e300b289-3
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LUO-POS-edefcc0e-1
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LUO-POS-74179f4f-1
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EDJ-MED-0186a59b-6
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EDG-MED-e300b289-2
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EDG-MED-e300b289-1
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EDJ-MED-41558c53-6
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PET-UNK-3324058f-3
0.682
PET-UNK-3324058f-7
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EDJ-MED-e69ed63d-13
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MAT-POS-b4d6b7fc-2
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EDJ-MED-e69ed63d-15
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EDJ-MED-827e7cb4-3
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EDJ-MED-ce467fd5-1
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EDJ-MED-d165ed91-5
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MAT-POS-c7726e07-1
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MAT-POS-e119ab4f-1
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EDJ-MED-0186a59b-5
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MAT-POS-c7726e07-2
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MAT-POS-b4d6b7fc-4
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EDJ-MED-e69ed63d-11
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EDJ-MED-e69ed63d-17
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RAL-THA-a9c31980-5
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EDJ-MED-41558c53-2
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EDJ-MED-d165ed91-1
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EDJ-MED-d165ed91-6
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RAL-THA-a9c31980-6
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EDJ-MED-968bafd9-2
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EDJ-MED-e69ed63d-1
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EDJ-MED-d165ed91-2
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EDJ-MED-41558c53-4
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EDJ-MED-015fb6b4-2
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MAT-POS-acfe5bae-2
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MAT-POS-a54ce14d-2
0.613
MAT-POS-a54ce14d-3
0.613
RAL-THA-a9c31980-9
0.607
EDJ-MED-e69ed63d-3
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EDJ-MED-c99b2211-2
0.606
RAL-THA-a9c31980-4
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EDJ-MED-41558c53-7
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EDJ-MED-41558c53-9
0.602
JOH-UNI-d2a12aa9-2
0.600
PET-UNK-c6bcc80b-3
0.600
PET-UNK-c6bcc80b-10
0.600
RAL-THA-a9c31980-8
0.598
EDJ-MED-e69ed63d-9
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EDJ-MED-e69ed63d-6
0.596
PET-UNK-c671f938-2
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PET-UNK-c671f938-6
0.596
EDJ-MED-41558c53-11
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PET-UNK-f860268d-2
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PET-UNK-f860268d-5
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RAL-THA-a9c31980-3
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EDJ-MED-43f8f7d6-3
0.586
JOH-UNI-6b98e24c-1
0.586
PET-UNK-c671f938-4
0.584
PET-UNK-c671f938-8
0.584
JOH-UNI-d2a12aa9-4
0.576
EDJ-MED-c99b2211-1
0.575
RAL-THA-5e0a6f1a-1
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PET-UNK-c7ac4d9e-1
0.573
PET-UNK-c7ac4d9e-2
0.573
EDJ-MED-ede277f6-6
0.573
EDJ-MED-43f8f7d6-4
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EDJ-MED-43f8f7d6-6
0.570
MAT-POS-2e8b2191-11
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EDJ-MED-41558c53-13
0.569
EDJ-MED-eb111c00-4
0.569
EDJ-MED-c4e42105-2
0.568
MAT-POS-c7726e07-3
0.568
MAT-POS-c7726e07-4
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MAT-POS-e119ab4f-2
0.568
PET-UNK-c671f938-1
0.564
PET-UNK-c671f938-5
0.564
ALP-POS-b3e0acc5-1
0.562
RAL-THA-a9c31980-2
0.561