Molecular Properties | |
SMILES: | CC(C)CCN1C(=O)C(=O)c2cc(Br)ccc21 |
MW: | 295.02 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 37.38 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4127676933 |
MolPort: | MolPort-000-880-637 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 24.2785993845437 |
Order Status | |
Shipped: | 2020-10-13 |
diketo group
Filter9_metal
Filter41_12_dicarbonyl
aryl bromide
Ketone
LOR-NOR-c954e7ad-1
0.485
LOR-NOR-30067bb9-6
0.457
LOR-NOR-30067bb9-18
0.448
LOR-NOR-c954e7ad-4
0.294
LOR-NOR-c954e7ad-2
0.286
LOR-NEU-c8f11034-7
0.284
MAR-TRE-fd17a9b8-26
0.279
LOR-NEU-c8f11034-9
0.278
MAR-TRE-0fda4e82-26
0.275
LOR-NEU-c8f11034-5
0.271
LOR-NOR-c954e7ad-5
0.268
LOR-NEU-c8f11034-2
0.264
DAR-DIA-53551c05-1
0.263
LOR-NOR-30067bb9-9
0.262
LOR-NEU-c8f11034-3
0.258
DAR-DIA-53551c05-19
0.256
MAD-UNK-521a29d8-1
0.250
DAR-DIA-53551c05-9
0.250
LOR-NOR-30067bb9-4
0.247
LOR-NOR-c954e7ad-6
0.247
LOR-NOR-30067bb9-7
0.244
DAR-DIA-53551c05-10
0.235
LOR-NOR-30067bb9-12
0.234
MAR-TRE-04c86cea-13
0.233
MAT-POS-162a9720-13
0.231
JOE-NOR-ee0d220f-1
0.227
LOR-NOR-30067bb9-15
0.225
LOR-NOR-30067bb9-3
0.225
OLE-CAR-5b17bec5-6
0.221
LOR-NEU-c8f11034-4
0.219
NAU-LAT-b0463c38-8
0.215
DAR-DIA-53551c05-21
0.214
LOR-NOR-30067bb9-8
0.214
NAU-LAT-ec9c7557-4
0.213
NAU-LAT-b0463c38-6
0.213
NAU-LAT-b0463c38-1
0.211
DAR-DIA-53551c05-5
0.211
LOR-NOR-30067bb9-17
0.210
LOR-NOR-30067bb9-11
0.207
NAU-LAT-b0463c38-9
0.207
LOR-NOR-30067bb9-5
0.202
DAR-DIA-53551c05-4
0.200
LOR-NOR-30067bb9-10
0.200
DAR-DIA-53551c05-20
0.198
NAU-LAT-1b663c1e-5
0.198
DAR-DIA-53551c05-8
0.195
ERI-WAB-212bafa6-2
0.192
NAU-LAT-1b663c1e-4
0.188
MAR-UNK-3cb74d1d-1
0.186
DRV-UNK-dd7f8c68-6
0.184
DRV-UNK-64047f27-1
0.184
HAO-BIO-c9aafde3-10
0.183
LON-WEI-5e7d1b3e-4
0.183
LON-WEI-4d77710c-4
0.183
DAR-DIA-53551c05-6
0.181
MAK-UNK-c8c8f7e2-34
0.179
RAI-NOV-2f6a9876-5
0.179
NAU-LAT-b0463c38-4
0.178
MAR-TRE-ebcc4ad6-29
0.176
MAT-POS-b5746674-2
0.176
DAR-DIA-53551c05-2
0.176
NAU-LAT-1b663c1e-7
0.176
MAR-TRE-36bf7dba-35
0.174
MAK-UNK-c8c8f7e2-6
0.173
LON-WEI-4d77710c-39
0.172
LON-WEI-5e7d1b3e-39
0.172
JOH-IMS-54aa76a2-4
0.171
DRR-IMP-dff87f5e-7
0.171
MAK-UNK-07311286-1
0.171
NAU-LAT-1b663c1e-6
0.170
KEI-TRE-d5e2018a-85
0.170
LOR-NEU-c8f11034-1
0.169
CHR-SOS-7098f804-4
0.169
MAK-UNK-c8c8f7e2-7
0.169
BOG-INS-16021dc0-1
0.168
AAR-POS-0daf6b7e-46
0.167
MAR-TRE-4f39ef4a-86
0.167
MAR-TRE-0fda4e82-4
0.167
DAR-DIA-53551c05-18
0.167
MAR-TRE-7f7bb9f0-80
0.167
MAR-TRE-74c6519b-26
0.167
LON-WEI-b8d98729-19
0.165
DAR-DIA-53551c05-3
0.165
MAR-TRE-67513f76-50
0.165
MAK-UNK-c8c8f7e2-33
0.165
MAT-POS-162a9720-3
0.164
MAR-TRE-1c920f6f-80
0.164
BAR-COM-0f94fc3d-53
0.163
MAR-TRE-66ac689e-6
0.163
MAK-UNK-0b1cbb06-5
0.163
MAK-UNK-7a704a63-23
0.163
RAF-POL-b61b4b25-4
0.163
MAR-TRE-0fda4e82-83
0.163
MAR-TRE-14ce9fd6-70
0.163
MAR-TRE-e86a56b5-50
0.163
PET-UNK-e9bc7c59-5
0.162
MAR-TRE-4b834d9a-53
0.162
DAR-DIA-53551c05-14
0.162
JPB-FNM-d51b4696-1
0.162
MAR-TRE-4b834d9a-43
0.161