Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
| MW: | 500.09 |
| Fraction sp3: | 0.22 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 125.54 |
| cLogP: | 2.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.0743469808288495 |
| Order Status | |
| Ordered: | 2021-08-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-12 |
EDJ-MED-d165ed91-5
EDJ-MED-d165ed91-1
EDJ-MED-d165ed91-4
EDJ-MED-d165ed91-3
EDJ-MED-d165ed91-2
EDJ-MED-d165ed91-6
PET-UNK-3324058f-8
PET-UNK-3324058f-7
PET-UNK-3324058f-6
PET-UNK-3324058f-5
PET-UNK-3324058f-4
PET-UNK-3324058f-3
PET-UNK-3324058f-2
PET-UNK-3324058f-1
PET-UNK-c671f938-5
PET-UNK-c671f938-3
PET-UNK-c671f938-2
PET-UNK-c671f938-1
PET-UNK-c671f938-6
PET-UNK-c671f938-8
PET-UNK-c671f938-7
PET-UNK-c671f938-4
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-6
PET-UNK-6e612674-5
PET-UNK-6e612674-3
PET-UNK-6e612674-1
PET-UNK-6e612674-9
PET-UNK-6e612674-16
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-10
PET-UNK-6e612674-8
PET-UNK-6e612674-7
PET-UNK-6e612674-4
PET-UNK-6e612674-2
MAT-POS-2e8b2191-12
1.000
EDJ-MED-e69ed63d-12
0.854
EDJ-MED-c99b2211-4
0.854
EDJ-MED-d165ed91-4
0.854
EDJ-MED-e69ed63d-8
0.845
EDJ-MED-e69ed63d-2
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EDJ-MED-e69ed63d-4
0.828
EDJ-MED-e69ed63d-16
0.820
EDJ-MED-e69ed63d-14
0.820
EDJ-MED-c99b2211-3
0.820
EDJ-MED-e69ed63d-5
0.812
EDJ-MED-e69ed63d-10
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EDJ-MED-d165ed91-3
0.812
EDJ-MED-0186a59b-6
0.806
LUO-POS-74179f4f-1
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LUO-POS-edefcc0e-1
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EDJ-MED-e69ed63d-18
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MAT-POS-b4d6b7fc-2
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EDJ-MED-ce467fd5-1
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EDJ-MED-41558c53-10
0.773
PET-UNK-c671f938-3
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PET-UNK-c671f938-7
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MAT-POS-c7726e07-1
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MAT-POS-c7726e07-2
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MAT-POS-e119ab4f-1
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EDJ-MED-0186a59b-5
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EDJ-MED-41558c53-12
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MAT-POS-b4d6b7fc-4
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EDJ-MED-41558c53-14
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MAT-POS-acfe5bae-2
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EDJ-MED-015fb6b4-2
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MAT-POS-a54ce14d-2
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MAT-POS-a54ce14d-3
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EDJ-MED-41558c53-8
0.728
PET-UNK-c6bcc80b-3
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PET-UNK-c6bcc80b-10
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JOH-UNI-d2a12aa9-2
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EDJ-MED-41558c53-6
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PET-UNK-3324058f-3
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PET-UNK-3324058f-7
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EDJ-MED-41558c53-2
0.689
EDJ-MED-d165ed91-1
0.689
JOH-UNI-d2a12aa9-4
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MAT-POS-e119ab4f-2
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MAT-POS-c7726e07-3
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MAT-POS-c7726e07-4
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MAT-POS-2e8b2191-11
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EDG-MED-e300b289-3
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MAT-POS-13080fc6-4
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EDJ-MED-41558c53-4
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EDJ-MED-d165ed91-2
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MAT-POS-37ffad05-1
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EDJ-MED-e69ed63d-11
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EDG-MED-e300b289-2
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EDJ-MED-d165ed91-5
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MAT-POS-97ec4bd1-4
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EDJ-MED-e69ed63d-7
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EDJ-MED-968bafd9-2
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EDJ-MED-e69ed63d-1
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EDJ-MED-d165ed91-6
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RAL-THA-a9c31980-4
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MIC-UNK-51049f1a-2
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EDJ-MED-0186a59b-3
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EDJ-MED-e69ed63d-13
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EDJ-MED-e69ed63d-15
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JOH-UNI-d2a12aa9-1
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MAT-POS-13080fc6-2
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PET-UNK-f860268d-5
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PET-UNK-f860268d-2
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LUO-POS-868e8996-4
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EDG-MED-ee636701-1
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MIC-UNK-51049f1a-1
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EDJ-MED-e69ed63d-9
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EDJ-MED-75baa495-3
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EDJ-MED-41558c53-7
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MIK-ENA-5d9157e9-4
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MIK-ENA-5d9157e9-3
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EDJ-MED-c99b2211-1
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EDJ-MED-41558c53-9
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PET-UNK-c7ac4d9e-1
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RAL-THA-5e0a6f1a-1
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PET-UNK-c7ac4d9e-2
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EDJ-MED-43f8f7d6-4
0.602
MAT-POS-e119ab4f-3
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EDJ-MED-eb111c00-4
0.600