Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 542.14 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.248039898203945 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
MAT-POS-2e8b2191-12
EDJ-MED-c99b2211-4
1.000
EDJ-MED-d165ed91-4
1.000
EDJ-MED-0186a59b-7
0.854
MAT-POS-2e8b2191-12
0.854
EDJ-MED-e69ed63d-8
0.828
EDJ-MED-e69ed63d-2
0.820
EDJ-MED-e69ed63d-4
0.812
EDJ-MED-e69ed63d-18
0.806
EDJ-MED-e69ed63d-14
0.804
EDJ-MED-e69ed63d-16
0.804
EDJ-MED-c99b2211-3
0.804
EDJ-MED-d165ed91-3
0.796
EDJ-MED-e69ed63d-10
0.796
EDJ-MED-e69ed63d-5
0.796
EDJ-MED-e69ed63d-11
0.780
EDJ-MED-41558c53-12
0.778
PET-UNK-c671f938-7
0.758
EDJ-MED-41558c53-10
0.758
PET-UNK-c671f938-3
0.758
EDJ-MED-c99b2211-2
0.740
RAL-THA-a9c31980-4
0.740
EDJ-MED-41558c53-14
0.721
EDJ-MED-41558c53-8
0.714
EDJ-MED-41558c53-6
0.688
EDJ-MED-c4e42105-2
0.688
PET-UNK-3324058f-3
0.688
PET-UNK-3324058f-7
0.688
LUO-POS-edefcc0e-1
0.683
LUO-POS-74179f4f-1
0.683
EDJ-MED-0186a59b-6
0.683
EDJ-MED-41558c53-2
0.676
EDJ-MED-d165ed91-1
0.676
EDG-MED-e300b289-2
0.676
MAT-POS-b4d6b7fc-2
0.670
EDJ-MED-827e7cb4-3
0.660
EDJ-MED-ce467fd5-1
0.660
EDG-MED-e300b289-3
0.654
MAT-POS-c7726e07-1
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MAT-POS-e119ab4f-1
0.651
EDJ-MED-0186a59b-5
0.651
MAT-POS-c7726e07-2
0.651
MAT-POS-b4d6b7fc-4
0.649
EDJ-MED-d165ed91-5
0.642
EDJ-MED-d165ed91-6
0.642
EDG-MED-e300b289-1
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EDJ-MED-e69ed63d-7
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EDJ-MED-968bafd9-2
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EDJ-MED-e69ed63d-1
0.627
EDJ-MED-75baa495-2
0.624
EDJ-MED-d165ed91-2
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EDJ-MED-41558c53-4
0.622
EDJ-MED-015fb6b4-2
0.619
MAT-POS-acfe5bae-2
0.619
MAT-POS-a54ce14d-2
0.619
MAT-POS-a54ce14d-3
0.619
EDJ-MED-e69ed63d-17
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EDJ-MED-e69ed63d-13
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EDJ-MED-e69ed63d-15
0.616
EDJ-MED-41558c53-11
0.615
EDJ-MED-e69ed63d-3
0.613
JOH-UNI-d2a12aa9-2
0.605
PET-UNK-c6bcc80b-3
0.605
PET-UNK-c6bcc80b-10
0.605
EDJ-MED-e69ed63d-6
0.602
EDJ-MED-e69ed63d-9
0.602
RAL-THA-a9c31980-1
0.596
EDJ-MED-41558c53-7
0.596
LUO-POS-868e8996-3
0.596
LUO-POS-868e8996-4
0.596
PET-UNK-f860268d-5
0.596
PET-UNK-f860268d-2
0.596
EDJ-MED-41558c53-9
0.592
RAL-THA-a9c31980-3
0.591
EDJ-MED-43f8f7d6-3
0.591
JOH-UNI-6b98e24c-1
0.591
PET-UNK-c671f938-4
0.589
PET-UNK-c671f938-8
0.589
PET-UNK-c671f938-2
0.587
PET-UNK-c671f938-6
0.587
RAL-THA-a9c31980-6
0.586
RAL-THA-a9c31980-5
0.586
JOH-UNI-d2a12aa9-4
0.581
MAT-POS-97ec4bd1-4
0.580
EDJ-MED-c99b2211-1
0.580
RAL-THA-5e0a6f1a-1
0.578
PET-UNK-c7ac4d9e-1
0.578
PET-UNK-c7ac4d9e-2
0.578
EDJ-MED-43f8f7d6-4
0.577
RAL-THA-a9c31980-8
0.575
EDJ-MED-43f8f7d6-6
0.575
EDJ-MED-eb111c00-4
0.574
MAT-POS-2e8b2191-11
0.574
MAT-POS-c7726e07-4
0.573
MAT-POS-e119ab4f-2
0.573
MAT-POS-c7726e07-3
0.573
RAL-THA-a9c31980-9
0.570
PET-UNK-c671f938-1
0.569
PET-UNK-c671f938-5
0.569
ALP-POS-b3e0acc5-1
0.568
RAL-THA-a9c31980-2
0.566