Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCNc2cc(Cl)c(Cl)cc21 |
MW: | 401.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 63.25 |
cLogP: | 4.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
EDJ-MED-4f704dc9-1
1.000
ALP-POS-fe871b40-12
0.788
MIC-UNK-ea4eb352-11
0.788
NIR-THE-3fc2bec4-1
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MAT-POS-d8472c4f-3
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MIC-UNK-ea4eb352-3
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MAT-POS-c74bc7b3-1
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MAT-POS-c74bc7b3-2
0.686
VLA-UNK-8e76d113-4
0.642
ALP-POS-fe871b40-8
0.630
EDJ-MED-37aac4bd-1
0.626
MAT-POS-78e1d523-3
0.626
EDJ-MED-d08626de-3
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MAT-POS-78e1d523-4
0.626
EDJ-MED-d08626de-4
0.626
EDJ-MED-d08626de-5
0.626
MIC-UNK-ea4eb352-8
0.626
EDJ-MED-2f867453-2
0.625
VLA-UNK-8e76d113-3
0.622
BEN-DND-a02b439d-13
0.602
MIC-UNK-ea4eb352-5
0.602
ALP-POS-fe871b40-4
0.592
EDJ-MED-946e547c-1
0.580
MIC-UNK-ea4eb352-12
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MAT-POS-993cdc78-1
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MAT-POS-993cdc78-2
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ALP-POS-fe871b40-11
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BEN-DND-a02b439d-12
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EDJ-MED-670ad2ee-1
0.561
MIC-UNK-ea4eb352-6
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EDJ-MED-841e0cf0-1
0.561
EDG-MED-0e5afe9d-3
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PET-UNK-c0891748-7
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EDJ-MED-d08626de-2
0.552
PET-UNK-29afea89-2
0.552
EDJ-MED-d08626de-1
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EDJ-MED-37aac4bd-5
0.552
ALP-POS-fe871b40-7
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PET-UNK-c0891748-1
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EDJ-MED-9e38fd34-4
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EDJ-MED-9e38fd34-6
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EDJ-MED-9e38fd34-5
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MIC-UNK-ea4eb352-4
0.542
MIC-UNK-ea4eb352-1
0.541
EDJ-MED-211392e3-1
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MIC-UNK-ea4eb352-9
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VLA-UNK-a5257d84-1
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PET-UNK-81b485b5-1
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PET-UNK-81b485b5-15
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MAT-POS-c7771779-2
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MAT-POS-89e65850-1
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ALP-POS-f1807566-3
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ALP-POS-fe871b40-3
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MAR-UCB-6ab2ec87-3
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EDJ-MED-4f704dc9-2
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MAT-POS-932d1078-2
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MAT-POS-932d1078-3
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EDJ-MED-37aac4bd-4
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PET-UNK-022eab87-2
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MAT-POS-89e65850-2
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PET-UNK-1abb40f2-1
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PET-UNK-1abb40f2-3
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PET-UNK-1b92fa34-7
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PET-UNK-9b23ef84-1
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EDJ-MED-841e0cf0-2
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MIC-UNK-ea4eb352-10
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EDJ-MED-670ad2ee-2
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PET-UNK-1abb40f2-4
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PET-UNK-1abb40f2-2
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ALP-POS-5290f14d-1
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MAT-POS-932d1078-5
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EDJ-MED-37aac4bd-2
0.485
PET-UNK-9bf1291a-1
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MAT-POS-932d1078-4
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MIC-UNK-ea4eb352-2
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DAR-DIA-ecdbc7dd-15
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PET-UNK-9bf1291a-3
0.485
PET-UNK-1b92fa34-5
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MAT-POS-f9802937-9
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ALP-UNI-3735e77e-4
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MAT-POS-f9802937-8
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MAT-POS-78e1d523-5
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MAT-POS-78e1d523-6
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MAT-POS-f9802937-1
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PET-UNK-c0891748-3
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PET-UNK-c0891748-9
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PET-UNK-c0891748-11
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PET-UNK-c0891748-5
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PET-UNK-9bf1291a-5
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ALF-EVA-b701bd13-5
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DAR-DIA-9f765dc6-18
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DAR-DIA-9f765dc6-16
0.472
DAR-DIA-9f765dc6-17
0.472
EDJ-MED-b1cef252-1
0.471
MAT-POS-89bd6af1-4
0.471
MAT-POS-83a7b0a0-1
0.471
MAT-POS-fb82b63d-2
0.469
EDJ-MED-2f867453-1
0.469
MIC-UNK-54748b58-2
0.468
PET-UNK-88d26eaf-1
0.467