Molecular Properties | |
SMILES: | O=C(CCc1nc2ncc(Br)cc2[nH]1)Nc1cccnc1 |
MW: | 345.02 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6412151540 |
MolPort: | MolPort-021-744-876 |
Filter9_metal
aryl bromide
MAR-TRE-9c797165-12
0.662
MAR-TRE-2fd8122f-93
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MAR-TRE-2fd8122f-80
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ALE-HEI-f28a35b5-14
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CHA-MCP-85291e1d-4
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MAR-TRE-3e4e6814-50
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MAR-TRE-04c86cea-97
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MAR-TRE-67513f76-81
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MAR-TRE-04c86cea-64
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MAK-UNK-ca11b4f7-1
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JOH-IMS-62aeb97d-5
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MAR-TRE-d0525fbf-91
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MAR-TRE-3e4e6814-100
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MAR-TRE-4b834d9a-82
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MAR-TRE-fd17a9b8-39
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SAN-PRS-52b81272-2
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MAR-TRE-04c86cea-51
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KEI-TRE-d5e2018a-85
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SAD-SAT-24589cd1-4
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KEI-TRE-d5e2018a-92
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DAR-DIA-23aa0b97-16
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MAR-TRE-74c6519b-58
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MAR-TRE-04c86cea-93
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EDG-MED-0da5ad92-2
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MAR-TRE-2fd8122f-57
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AUS-ARG-7cfdce8f-11
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MAK-UNK-a7b37c5e-5
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ANN-UNI-26382800-5
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MAR-TRE-74c6519b-47
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MAR-TRE-7f7bb9f0-46
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MAR-TRE-4b834d9a-97
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MAR-TRE-04c86cea-96
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CHA-MCP-85291e1d-5
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MAR-TRE-67513f76-87
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MAR-TRE-3e4e6814-61
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CHR-SOS-54d5cf3e-6
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MAK-UNK-a7b37c5e-4
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DAR-DIA-842b4336-12
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CHR-SOS-70e4c98a-6
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MAR-TRE-2fd8122f-60
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MAR-TRE-b77b7921-80
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MAR-TRE-d0525fbf-33
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MAR-TRE-2fd8122f-20
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DAR-DIA-842b4336-16
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DAR-DIA-23aa0b97-17
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DAR-DIA-842b4336-15
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MAR-TRE-3e4e6814-28
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MAR-TRE-74c6519b-42
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HAR-NEW-e34cb1ae-7
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KAL-WAB-eb347ebe-1
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MAR-TRE-04c86cea-31
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BAR-COM-21d20d65-5
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MAR-TRE-7f7bb9f0-81
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MAR-TRE-74c6519b-81
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CHA-MCP-85291e1d-1
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CHA-MCP-85291e1d-2
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DAR-DIA-842b4336-10
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MAK-UNK-ca11b4f7-3
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MAK-UNK-ca11b4f7-2
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MAR-TRE-7f7bb9f0-30
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MAR-TRE-2fd8122f-39
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KEI-TRE-d5e2018a-45
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TAM-UNI-c140e31a-10
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KEI-TRE-d5e2018a-14
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MAR-TRE-9c797165-52
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MAR-TRE-7f7bb9f0-56
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DAR-DIA-842b4336-14
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ALE-HEI-f28a35b5-9
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AAR-POS-d2a4d1df-13
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MAK-UNK-c749d764-17
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FRA-FAC-9ed5a63a-1
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MAK-UNK-a7b37c5e-1
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MAR-TRE-7f7bb9f0-15
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MAR-TRE-3e4e6814-66
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MAR-TRE-9c797165-60
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MAR-TRE-2fd8122f-72
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MAR-TRE-3e4e6814-49
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WIL-UNI-5578df48-18
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CHR-SOS-b301fc01-2
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CHR-SOS-70e4c98a-11
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MAR-TRE-2fd8122f-99
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MED-UNK-e6e8ef8a-6
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MED-UNK-e6e8ef8a-5
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DAR-DIA-842b4336-11
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DAR-DIA-842b4336-13
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ALE-HEI-f28a35b5-5
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DAR-DIA-23aa0b97-15
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MAK-UNK-d1e89583-1
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MAR-TRE-2fd8122f-100
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CHR-SOS-54d5cf3e-4
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CHR-SOS-54d5cf3e-7
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MAR-TRE-67513f76-92
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