Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccc(C)cc5)CC4)cc3o2)c(Br)c1 |
MW: | 534.454 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.6 |
cLogP: | 6.42502 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
DRA-CSI-0a78d9ba-9
0.840
DRA-CSI-0a78d9ba-5
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DRA-CSI-0a78d9ba-7
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DRA-CSI-0a78d9ba-8
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DRA-CSI-7ec17797-15
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DRA-CSI-0a78d9ba-2
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DRA-CSI-7ec17797-16
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DRA-CSI-3ab97369-5
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DRA-CSI-0a78d9ba-1
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DRA-CSI-0a78d9ba-3
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DRA-CSI-0a78d9ba-4
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DRA-CSI-7ec17797-19
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DRA-CSI-3ab97369-2
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DRA-CSI-7ec17797-12
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DRA-CSI-7ec17797-1
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DRA-CSI-3ab97369-1
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DRA-CSI-7ec17797-2
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DRA-CSI-0a78d9ba-13
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DRA-CSI-0a78d9ba-16
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DRA-CSI-0a78d9ba-15
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SAD-SAT-7d5528d9-7
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MAR-TRE-fd17a9b8-36
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MAR-TRE-74c6519b-29
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MAK-UNK-acefcb18-20
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JAG-SYN-9c2cd0bd-9
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LON-WEI-120e5cf5-19
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AAR-POS-5507155c-2
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LON-WEI-120e5cf5-1
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AAR-POS-f650c5f2-4
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LON-WEI-120e5cf5-3
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MAR-TRE-a9136c7b-89
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LON-WEI-120e5cf5-13
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LON-WEI-120e5cf5-2
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GIA-UNK-5ec6c2b8-3
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MAK-UNK-c97f7c8f-1
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LON-WEI-120e5cf5-15
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MAR-TRE-6a44bbf2-86
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MAR-TRE-2fd8122f-42
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LON-WEI-120e5cf5-11
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BEN-DND-031a96cc-4
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KEI-TRE-d5e2018a-49
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KEI-TRE-d5e2018a-38
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MAK-UNK-acefcb18-22
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AHN-SAT-02ef6d10-2
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