Molecular Properties | |
SMILES: | C=CC(=O)NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 |
MW: | 318.373 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 78.87 |
cLogP: | 1.202 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-09-01 |
o-Substituted phenols (2)
Long aliphatic chain
mannich_A(296)
AAR-POS-0daf6b7e-10
JUA-UNI-b93289a4-1
0.740
MED-COV-4280ac29-22
0.379
JUA-UNI-a9dfaed1-4
0.344
MED-COV-4280ac29-26
0.319
LON-WEI-adc59df6-32
0.303
JUA-UNI-bc099708-1
0.302
JUA-UNI-bc099708-3
0.300
MAT-POS-b5746674-37
0.282
LON-WEI-5e7d1b3e-59
0.282
LON-WEI-4d77710c-59
0.282
WIL-NOV-066c4001-1
0.278
MAT-POS-b5746674-13
0.274
MAR-TRE-6a44bbf2-37
0.273
PAU-UNI-6d15a9f5-1
0.272
AAR-POS-0daf6b7e-23
0.270
MAR-TRE-9c797165-50
0.269
MIC-UNK-bcd487e9-4
0.264
BAR-COM-4e090d3a-55
0.264
LON-WEI-4d77710c-13
0.257
LON-WEI-5e7d1b3e-13
0.257
MAR-TRE-e82e6c98-34
0.253
MIC-UNK-cdc2493e-2
0.248
NIM-NMI-8bb27a2b-11
0.248
ALP-POS-88a7a97e-27
0.246
MAR-TRE-67513f76-29
0.245
MAR-TRE-fd17a9b8-8
0.245
NIM-UNI-bb9030bf-11
0.245
SAD-SAT-f0a2747f-2
0.243
JUA-UNI-a9dfaed1-3
0.241
NIM-NMI-8bb27a2b-12
0.241
NIM-UNI-bb9030bf-10
0.240
MAR-TRE-799db12b-18
0.238
MAR-TRE-a78003aa-100
0.237
DAV-IMP-59dd6621-20
0.237
ERI-UCB-fbdd3ea1-7
0.236
ERI-UCB-fbdd3ea1-30
0.236
DAR-DIA-2b784ede-19
0.236
JOH-UNI-e19b918c-4
0.236
NIR-WEI-f9286bb6-3
0.235
NIM-NMI-8bb27a2b-2
0.234
JUA-UNI-a9dfaed1-2
0.233
WAR-XCH-72a8c209-10
0.233
ERI-UCB-fbdd3ea1-6
0.232
ERI-UCB-fbdd3ea1-31
0.232
NIM-NMI-8bb27a2b-3
0.231
MAR-TRE-67513f76-62
0.230
NIM-NMI-8bb27a2b-5
0.230
DAR-DIA-2b784ede-18
0.230
NIR-WEI-f9286bb6-2
0.229
RAL-MED-2de63afb-9
0.228
ERI-UCB-fbdd3ea1-5
0.228
NIM-NMI-8bb27a2b-1
0.228
MIC-SGC-657978c3-3
0.228
SAD-SAT-2ceae68f-10
0.228
LON-WEI-adc59df6-96
0.226
NIM-NMI-8bb27a2b-10
0.226
JAN-GHE-d851b096-7
0.226
ERI-UCB-fbdd3ea1-9
0.225
NIM-NMI-8bb27a2b-4
0.225
MAR-TRE-fd17a9b8-2
0.224
LON-WEI-adc59df6-19
0.224
WIL-UNI-5578df48-26
0.222
ERI-UCB-fbdd3ea1-8
0.222
LON-WEI-af038623-1
0.221
JUA-UNI-b93289a4-4
0.221
DAR-DIA-2b784ede-6
0.221
ALP-POS-02c6a514-16
0.220
ALP-POS-b0bc6a46-10
0.220
DAR-DIA-2b784ede-35
0.220
JUA-UNI-a9dfaed1-5
0.220
NIM-NMI-8bb27a2b-19
0.220
MAK-UNK-ffc90da7-4
0.220
MAK-UNK-c749d764-22
0.220
ALI-DIA-59c2fdb0-2
0.219
MAR-TRE-3e4e6814-60
0.219
DAR-DIA-2b784ede-23
0.219
NJA-MAN-b8640440-20
0.219
DAR-DIA-2b784ede-31
0.219
MAK-UNK-d508046f-1
0.218
JOH-MSK-ec639444-2
0.218
ALP-POS-780445ae-10
0.218
NJA-MAN-b8640440-22
0.217
ERI-UCB-fbdd3ea1-10
0.217
KEN-ILL-f8fa3277-2
0.216
MAR-TRE-d0525fbf-51
0.216
MAK-UNK-10dfa458-3
0.215
JUL-TUD-06b2044f-58
0.215
TRY-UNI-69298daf-3
0.215
DAR-DIA-2b784ede-34
0.215
DAR-DIA-2b784ede-14
0.214
MAR-TRE-4b834d9a-28
0.214
MAT-POS-b5746674-97
0.213
LON-WEI-5e7d1b3e-46
0.213
LON-WEI-4d77710c-46
0.213
DAR-DIA-2b784ede-33
0.213
SAD-SAT-1f400d17-8
0.213
MAK-UNK-919546f0-4
0.213
MAR-TRE-9c797165-90
0.212
DAR-DIA-2b784ede-22
0.212
NIM-NMI-8bb27a2b-18
0.212