Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 416.06 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
PET-UNK-4b4f2bb7-6
PET-UNK-4b4f2bb7-3
PET-UNK-4b4f2bb7-1
PET-UNK-4b4f2bb7-5
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PET-UNK-4b4f2bb7-7
PET-UNK-4b4f2bb7-2
PET-UNK-4b4f2bb7-9
PET-UNK-4b4f2bb7-4
PET-UNK-b78139fa-18
PET-UNK-b78139fa-16
PET-UNK-b78139fa-15
PET-UNK-b78139fa-13
PET-UNK-b78139fa-12
PET-UNK-b78139fa-11
PET-UNK-b78139fa-7
PET-UNK-b78139fa-5
PET-UNK-b78139fa-4
PET-UNK-b78139fa-17
PET-UNK-b78139fa-14
PET-UNK-b78139fa-10
PET-UNK-b78139fa-9
PET-UNK-b78139fa-8
PET-UNK-b78139fa-3
PET-UNK-b78139fa-1
PET-UNK-b78139fa-6
PET-UNK-b78139fa-2
PET-UNK-ab76d8f6-5
PET-UNK-ab76d8f6-3
PET-UNK-ab76d8f6-2
PET-UNK-ab76d8f6-1
PET-UNK-ab76d8f6-6
PET-UNK-ab76d8f6-4
PET-UNK-b38839dc-28
PET-UNK-b38839dc-27
PET-UNK-b38839dc-26
PET-UNK-b38839dc-25
PET-UNK-b38839dc-24
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-20
PET-UNK-b38839dc-16
PET-UNK-b38839dc-10
PET-UNK-b38839dc-8
PET-UNK-b38839dc-6
PET-UNK-b38839dc-2
PET-UNK-b38839dc-1
PET-UNK-b38839dc-29
PET-UNK-b38839dc-17
PET-UNK-b38839dc-12
PET-UNK-b38839dc-15
PET-UNK-b38839dc-23
PET-UNK-b38839dc-19
PET-UNK-b38839dc-13
PET-UNK-b38839dc-11
PET-UNK-b38839dc-9
PET-UNK-b38839dc-7
PET-UNK-b38839dc-4
PET-UNK-b38839dc-3
PET-UNK-b38839dc-30
PET-UNK-b38839dc-14
PET-UNK-b38839dc-5
PET-UNK-b38839dc-18
PET-UNK-ad758083-4
PET-UNK-ad758083-3
PET-UNK-ad758083-1
PET-UNK-ad758083-2
PET-UNK-ad758083-5
PET-UNK-0d6841fa-7
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-3
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-1
PET-UNK-0d6841fa-5
PET-UNK-7bb24635-3
PET-UNK-7bb24635-2
PET-UNK-7bb24635-1
PET-UNK-7bb24635-4
PET-UNK-7bb24635-6
PET-UNK-7bb24635-5
PET-UNK-1abb40f2-4
PET-UNK-1abb40f2-3
PET-UNK-1abb40f2-2
PET-UNK-1abb40f2-1
EDJ-MED-211392e3-1
1.000
PET-UNK-4b4f2bb7-6
0.782
PET-UNK-022eab87-2
0.774
PET-UNK-ad758083-5
0.761
PET-UNK-4b4f2bb7-9
0.750
MIC-UNK-ea4eb352-5
0.747
PET-UNK-4b4f2bb7-5
0.744
ALP-POS-6f6ae286-2
0.744
PET-UNK-4b4f2bb7-8
0.742
PET-UNK-ab76d8f6-1
0.739
PET-UNK-4b4f2bb7-7
0.733
PET-UNK-7bb24635-1
0.728
MIC-UNK-ea4eb352-9
0.725
PET-UNK-0d6841fa-5
0.719
EDJ-MED-211392e3-2
0.702
PET-UNK-7bb24635-3
0.691
PET-UNK-4b4f2bb7-2
0.691
EDJ-MED-70ab3faf-1
0.685
PET-UNK-09a29654-4
0.684
PET-UNK-4b4f2bb7-3
0.681
PET-UNK-7bb24635-2
0.677
EDJ-MED-211392e3-3
0.673
PET-UNK-ab76d8f6-6
0.663
PET-UNK-1abb40f2-1
0.663
PET-UNK-1abb40f2-3
0.663
PET-UNK-ab76d8f6-2
0.656
PET-UNK-ab76d8f6-3
0.656
PET-UNK-b38839dc-30
0.656
PET-UNK-09a29654-5
0.650
PET-UNK-1abb40f2-2
0.649
PET-UNK-1abb40f2-4
0.649
PET-UNK-407a74a5-6
0.641
PET-UNK-ab76d8f6-4
0.638
PET-UNK-ab76d8f6-5
0.638
PET-UNK-407a74a5-1
0.638
PET-UNK-4b4f2bb7-4
0.638
PET-UNK-09a29654-6
0.631
PET-UNK-4b4f2bb7-1
0.625
EDJ-MED-d08626de-1
0.617
EDG-MED-0e5afe9d-3
0.617
EDJ-MED-d08626de-2
0.617
PET-UNK-29afea89-2
0.617
MIC-UNK-ea4eb352-4
0.606
PET-UNK-c0891748-3
0.604
PET-UNK-c0891748-9
0.604
MIC-UNK-54748b58-2
0.598
PET-UNK-b78139fa-16
0.596
MIC-UNK-ea4eb352-3
0.594
MAT-POS-d8472c4f-3
0.594
PET-UNK-5ad1c31a-3
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PET-UNK-5ad1c31a-4
0.592
PET-UNK-5ad1c31a-9
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PET-UNK-5ad1c31a-10
0.592
MAR-UCB-6ab2ec87-3
0.585
ALP-POS-fe871b40-8
0.577
PET-UNK-1b92fa34-5
0.577
PET-UNK-b78139fa-14
0.577
PET-UNK-b78139fa-18
0.568
EDJ-MED-37aac4bd-5
0.567
PET-UNK-c0891748-1
0.567
ALP-POS-fe871b40-7
0.567
PET-UNK-c0891748-7
0.567
PET-UNK-81b485b5-1
0.566
PET-UNK-81b485b5-15
0.566
PET-UNK-b78139fa-17
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PET-UNK-b78139fa-15
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MIC-UNK-ea4eb352-11
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NIR-THE-3fc2bec4-1
0.550
ALP-POS-fe871b40-12
0.550
MAT-POS-c7771779-2
0.545
MAT-POS-89e65850-2
0.545
PET-UNK-9bf1291a-3
0.545
MIC-UNK-ea4eb352-12
0.545
MAT-POS-89e65850-1
0.545
EDJ-MED-b1cef252-1
0.545
MAT-POS-89bd6af1-4
0.545
MAT-POS-83a7b0a0-1
0.545
EDJ-MED-4f704dc9-1
0.541
MAT-POS-78e1d523-3
0.541
EDJ-MED-d08626de-3
0.541
MAT-POS-78e1d523-4
0.541
EDJ-MED-d08626de-4
0.541
EDJ-MED-d08626de-5
0.541
ALP-POS-1cbc2fae-1
0.541
EDJ-MED-37aac4bd-1
0.541
MIC-UNK-ea4eb352-8
0.541
MIC-UNK-ea4eb352-7
0.541
MAT-POS-83f73d0a-3
0.541
MAT-POS-806462de-1
0.541
MAT-POS-806462de-2
0.541
MAT-POS-f9802937-1
0.540
ALP-POS-f1807566-3
0.540
PET-UNK-c0891748-5
0.540
PET-UNK-c0891748-11
0.540
ALP-POS-fe871b40-3
0.539
ALP-POS-fe871b40-11
0.535
MAT-POS-993cdc78-1
0.535
MAT-POS-993cdc78-2
0.535
PET-UNK-9bf1291a-5
0.534
MAT-POS-932d1078-2
0.530