Molecular Properties | |
SMILES: | CCCCN1C(=O)C(=O)c2cc(Br)cc(C)c21 |
MW: | 295.02 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 37.38 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2761653040 |
MolPort: | MolPort-000-302-783 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 57.5528135121661 |
Order Status | |
Shipped: | 2020-10-13 |
diketo group
Filter9_metal
Filter41_12_dicarbonyl
aryl bromide
Ketone
LOR-NEU-c8f11034-7
0.755
LOR-NOR-30067bb9-4
0.514
LOR-NOR-30067bb9-7
0.457
LOR-NOR-c954e7ad-3
0.286
DAR-DIA-53551c05-1
0.278
LOR-NOR-30067bb9-6
0.275
LOR-NOR-c954e7ad-1
0.256
LOR-NEU-c8f11034-2
0.247
LOR-NOR-30067bb9-12
0.234
LOR-NOR-30067bb9-5
0.232
LOR-NOR-30067bb9-18
0.228
LOR-NEU-c8f11034-9
0.227
MAR-TRE-0fda4e82-26
0.222
LOR-NEU-c8f11034-5
0.219
DAR-DIA-53551c05-4
0.215
LOR-NOR-30067bb9-8
0.214
LOR-NOR-30067bb9-11
0.207
DAR-DIA-53551c05-9
0.207
LOR-NOR-c954e7ad-4
0.205
DAR-DIA-53551c05-2
0.202
DAR-DIA-53551c05-19
0.200
LOR-NEU-c8f11034-3
0.200
MAR-TRE-fd17a9b8-26
0.196
LOR-NOR-30067bb9-17
0.195
DAR-DIA-53551c05-10
0.193
LOR-NOR-30067bb9-15
0.192
DAR-DIA-53551c05-3
0.189
LOR-NOR-30067bb9-10
0.186
LOR-NOR-30067bb9-3
0.181
LOR-NOR-30067bb9-9
0.178
MAT-POS-162a9720-13
0.176
MAD-UNK-521a29d8-1
0.176
MAT-POS-b5746674-90
0.175
KRI-MAR-d2e3ef86-26
0.172
PET-UNK-94460c07-4
0.172
PAU-UNI-589039f7-3
0.172
PAU-UNI-d269d79c-3
0.172
PET-UNK-94460c07-3
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LOR-NOR-c954e7ad-5
0.169
MAR-TRE-04c86cea-13
0.169
MAR-TRE-36bf7dba-25
0.169
NAU-LAT-b0463c38-3
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LOR-NEU-c8f11034-4
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DAR-DIA-53551c05-7
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JOH-IMS-54aa76a2-2
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DAR-DIA-53551c05-20
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DAR-DIA-53551c05-21
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MAK-UNK-987948f6-12
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LON-WEI-5e7d1b3e-4
0.158
LON-WEI-4d77710c-4
0.158
JAN-GHE-f4ca5a00-15
0.157
LOR-NOR-c954e7ad-6
0.157
JAG-UCB-a3ef7265-13
0.156
MAR-TRE-ebcc4ad6-37
0.156
MAT-POS-b5746674-41
0.156
MAR-TRE-e86a56b5-89
0.156
NAU-LAT-1b663c1e-5
0.155
MAR-TRE-fffca54f-17
0.155
HAO-BIO-c9aafde3-10
0.155
RAI-NOV-2f6a9876-5
0.155
MAT-POS-ea426761-32
0.154
OLE-CAR-5b17bec5-6
0.154
MAT-POS-b5746674-95
0.153
JAG-UCB-c61058a9-16
0.153
MAR-TRE-7f7bb9f0-60
0.153
DAR-DIA-53551c05-8
0.153
MAR-TRE-e86a56b5-59
0.152
KEN-UNI-c79d77dd-1
0.152
BAR-COM-ebf5acce-14
0.152
AHN-SAT-de2502ba-13
0.151
MAR-TRE-4f39ef4a-29
0.151
MAR-TRE-6a44bbf2-83
0.151
MAT-POS-ea426761-55
0.151
ADA-UCB-6c2cb422-6
0.151
SEB-HKI-06b43755-2
0.151
MAR-TRE-ebcc4ad6-16
0.150
MAR-TRE-14ce9fd6-86
0.150
DAR-DIA-53551c05-5
0.150
MAR-TRE-fffca54f-57
0.150
BEN-VAN-5787f7d3-11
0.150
BEN-VAN-5787f7d3-7
0.150
MAR-TRE-4f39ef4a-22
0.149
AAR-POS-0daf6b7e-46
0.149
MAR-TRE-a9136c7b-79
0.149
EDG-MED-0da5ad92-7
0.149
NAU-LAT-ec9c7557-4
0.149
MAR-TRE-f5c2d31c-4
0.149
MAR-TRE-6a44bbf2-63
0.148
NAU-LAT-1b663c1e-4
0.148
MAR-TRE-e86a56b5-78
0.147
MAT-POS-162a9720-3
0.147
MAR-TRE-6a44bbf2-13
0.146
LYN-UNI-c2dd631d-14
0.146
SAD-SAT-f0a2747f-9
0.146
MAR-TRE-e82e6c98-26
0.146
WAR-XCH-79d12f6e-6
0.146
MAR-TRE-4f781e27-95
0.146
AAR-POS-0daf6b7e-3
0.146
RHE-UNK-eb059eb9-1
0.146
RAI-NOV-c18e0037-1
0.146