Molecular Properties | |
SMILES: | COc1ccc2cncc(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)c2c1 |
MW: | 398.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.118381252478491 |
Order Status | |
Shipped: | 2021-03-24 |
MAT-POS-24589f88-1
1.000
MAT-POS-96f51285-1
1.000
ALF-EVA-82cf4849-11
0.811
ALF-EVA-82cf4849-12
0.785
MAT-POS-ec6d90b7-4
0.782
MAT-POS-a5ef2d74-2
0.782
EDJ-MED-611d11e7-4
0.782
PET-UNK-ee8352fa-1
0.756
MAT-POS-96f51285-2
0.747
EDJ-MED-611d11e7-1
0.747
EDG-MED-10fcb19e-5
0.737
ALP-POS-93b3621f-3
0.731
EDJ-MED-d08626de-1
0.730
EDG-MED-0e5afe9d-3
0.730
EDJ-MED-d08626de-2
0.730
PET-UNK-29afea89-2
0.730
ALF-EVA-82cf4849-8
0.723
EDG-MED-10fcb19e-1
0.716
EDG-MED-10fcb19e-3
0.716
PET-UNK-a7639856-1
0.716
ALF-EVA-82cf4849-13
0.708
EDJ-MED-611d11e7-10
0.703
PET-UNK-f4e47ebd-17
0.703
MAT-POS-a5ef2d74-3
0.703
PET-UNK-f4e47ebd-18
0.691
PET-UNK-b38839dc-19
0.691
PET-UNK-b38839dc-20
0.691
ALF-EVA-82cf4849-4
0.677
PET-UNK-ee8352fa-2
0.667
PET-UNK-ee8352fa-3
0.667
PET-UNK-f4e47ebd-19
0.663
PET-UNK-a7639856-2
0.653
PET-UNK-5d7c542f-2
0.649
PET-UNK-5d7c542f-1
0.646
ALP-POS-6f6ae286-3
0.646
MAR-UCB-fd2e172f-41
0.645
PET-UNK-b38839dc-18
0.645
PET-UNK-0df12184-2
0.645
MAR-UCB-fd2e172f-24
0.638
PET-UNK-0df12184-5
0.638
PET-UNK-0df12184-1
0.632
EDG-MED-10fcb19e-2
0.630
ALP-POS-93b3621f-4
0.626
EDJ-MED-1b46f08e-1
0.624
PET-UNK-a7639856-3
0.621
EDJ-MED-6bf93aa8-1
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MAR-UCB-fd2e172f-31
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MIC-UNK-7f86385f-1
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PET-UNK-c761fc18-5
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MAR-UCB-fd2e172f-25
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PET-UNK-0df12184-4
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ALP-POS-5de921e7-1
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PET-UNK-0df12184-3
0.598
MIC-UNK-7f86385f-2
0.596
PET-UNK-bcc8fd08-2
0.596
MIC-UNK-7f86385f-3
0.594
PET-UNK-c761fc18-1
0.592
JOH-UNI-6e27fddc-1
0.592
MAR-UCB-fd2e172f-20
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MAR-UCB-fd2e172f-13
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MAR-UCB-fd2e172f-43
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MIC-UNK-7f86385f-5
0.589
PET-UNK-03fd2068-7
0.586
JOH-UNI-99d163e5-6
0.586
MAR-UCB-fd2e172f-28
0.584
MIC-UNK-7f86385f-4
0.579
PET-UNK-fe31e24a-3
0.569
PET-UNK-fe31e24a-7
0.569
EDG-MED-4c68219f-16
0.567
MAR-UCB-fd2e172f-21
0.567
MAR-UCB-fd2e172f-27
0.566
PET-UNK-824b5c6a-1
0.564
PET-UNK-3bb57da2-3
0.563
PET-UNK-49566573-3
0.561
MAR-UCB-fd2e172f-14
0.560
PET-UNK-824b5c6a-3
0.559
MAR-UCB-6ab2ec87-3
0.557
EDJ-MED-ee742daa-1
0.557
ALP-POS-e6e0c683-2
0.556
JOH-UNI-99d163e5-2
0.556
MAR-UCB-fd2e172f-22
0.556
DAR-DIA-e7614d05-1
0.554
PET-UNK-bcc8fd08-1
0.554
DAR-DIA-e7614d05-2
0.554
ALP-POS-93b3621f-1
0.554
DAR-DIA-e7614d05-3
0.554
MAR-UCB-fd2e172f-35
0.554
MAR-UCB-fd2e172f-2
0.550
ALP-POS-e6e0c683-1
0.550
PET-UNK-10c83c8b-1
0.549
PET-UNK-824b5c6a-2
0.548
MAR-UCB-fd2e172f-29
0.545
MAR-UCB-fd2e172f-36
0.545
MAR-UCB-fd2e172f-34
0.545
EDJ-MED-93390d0c-4
0.543
PET-UNK-3bb57da2-1
0.543
ED_-GRI-5b13fbe2-70
0.542
ED_-GRI-5b13fbe2-69
0.542
ED_-GRI-5b13fbe2-71
0.542
MAT-POS-f9802937-7
0.540