Molecular Properties | |
SMILES: | O=C1Nc2c(Br)cccc2C1=O |
MW: | 224.94 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 46.17 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-01156 |
Enamine SCR: | Z56887738 |
Mcule: | MCULE-1016034452 |
MolPort: | MolPort-000-145-257 |
Activity Data | |
IC50 (µM) - RapidFire: | 43.1136810773039 |
Order Status | |
Shipped: | 2020-06-01 |
diketo group
Filter9_metal
Filter41_12_dicarbonyl
aryl bromide
Ketone
LOR-NOR-f9b26152-1
0.360
LOR-NOR-30067bb9-16
0.333
LOR-NOR-30067bb9-2
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LOR-NEU-c8f11034-6
0.288
LOR-NOR-30067bb9-15
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LOR-NEU-c8f11034-3
0.280
LOR-NEU-c8f11034-4
0.280
JEF-THE-add32b9a-1
0.267
LOR-NOR-30067bb9-12
0.266
LOR-NEU-c8f11034-2
0.262
NAU-LAT-b0463c38-2
0.261
LOR-NOR-30067bb9-10
0.239
NAU-LAT-ec9c7557-2
0.238
LOR-NOR-30067bb9-11
0.232
MAR-TRE-fffca54f-16
0.225
MAR-TRE-ebcc4ad6-46
0.208
LOR-NOR-30067bb9-1
0.203
MAK-UNK-c74072e5-4
0.198
LOR-NOR-30067bb9-14
0.196
LOR-NOR-30067bb9-13
0.194
LOR-NEU-c8f11034-5
0.190
MAR-TRE-fffca54f-28
0.190
LON-WEI-ff7b210a-3
0.186
LOR-NEU-c8f11034-8
0.186
AAR-POS-d2a4d1df-15
0.178
DRV-UNK-64047f27-2
0.176
DRV-UNK-dd7f8c68-2
0.176
MAR-TRE-0fda4e82-26
0.175
DRV-UNK-dd7f8c68-4
0.174
DRV-UNK-64047f27-5
0.174
MAR-TRE-4f781e27-30
0.173
MAR-UCB-195bc32d-49
0.172
DOU-UNK-b5326f8f-11
0.172
ANN-UNI-26382800-1
0.172
NAU-LAT-b0463c38-7
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MAK-UNK-07311286-2
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DAR-DIA-53551c05-22
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MAR-TRE-4b834d9a-77
0.171
MAK-UNK-53da93bf-5
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LOR-NOR-c954e7ad-3
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MAR-TRE-fd17a9b8-19
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CHE-UNK-3dacc16b-2
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LOR-NOR-30067bb9-17
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MAR-UCB-195bc32d-48
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RUB-POS-1325a9ea-22
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DRV-UNK-64047f27-3
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DRV-UNK-dd7f8c68-3
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LOR-NEU-c8f11034-9
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MAK-UNK-6ca90168-12
0.164
MAT-POS-162a9720-3
0.164
LON-WEI-ff7b210a-6
0.163
NAU-LAT-1b663c1e-7
0.163
KRI-MAR-d2e3ef86-1
0.162
MAR-TRE-fffca54f-81
0.161
COM-UCB-1ef4e90e-8
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HUB-UNK-9845d277-2
0.160
MAR-TRE-74c6519b-54
0.160
MAR-TRE-b77b7921-87
0.160
LOR-NOR-30067bb9-5
0.160
MAR-TRE-fffca54f-18
0.159
MAR-TRE-ebcc4ad6-43
0.159
MAR-TRE-85681e92-63
0.159
DRV-UNK-64047f27-8
0.159
DRV-UNK-dd7f8c68-1
0.159
LOR-NOR-30067bb9-8
0.158
MAR-TRE-66ac689e-9
0.158
LOR-NOR-30067bb9-6
0.158
COM-UCB-8c7d23dc-11
0.157
DRV-UNK-dd7f8c68-8
0.157
DRV-UNK-64047f27-7
0.157
MAR-TRE-8190bb11-96
0.157
MAR-UCB-195bc32d-42
0.156
MAT-POS-b5746674-43
0.156
MAR-TRE-fffca54f-73
0.155
MAR-TRE-4f781e27-91
0.155
MAR-TRE-ebcc4ad6-15
0.154
LON-WEI-5e7d1b3e-19
0.154
LON-WEI-4d77710c-19
0.154
NIM-UNI-0ea3b7bf-1
0.154
NAU-LAT-356bd3c2-13
0.154
NAU-LAT-1b663c1e-5
0.153
DOU-UNK-b5326f8f-12
0.153
JON-UIO-25071d63-2
0.153
MAR-TRE-e86a56b5-53
0.152
UNK-UNK-2ede4078-101
0.152
JAG-UCB-ef2c0e8e-2
0.152
DAR-DIA-53551c05-8
0.151
LOR-NOR-c954e7ad-1
0.151
LOR-NOR-30067bb9-3
0.151
NAU-LAT-b0463c38-5
0.150
MAR-TRE-4f781e27-52
0.150
MAR-TRE-1c920f6f-48
0.150
KRI-MAR-d2e3ef86-11
0.150
AGN-NEW-891393a6-8
0.150
VIT-UNK-cff011c0-1
0.149
VIT-UNK-2a0afa28-2
0.149
COM-UCB-1ef4e90e-14
0.149
BEN-DND-76ad4ac9-6
0.149
EDJ-MED-c292668a-1
0.149
COM-UCB-8c7d23dc-5
0.149