Molecular Properties | |
SMILES: | C=CC(=O)NCC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 |
MW: | 344.436 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 69.64 |
cLogP: | 2.1125 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-09-01 |
Long aliphatic chain
AAR-POS-0daf6b7e-10
MED-COV-4280ac29-26
0.671
JUA-UNI-a9dfaed1-4
0.448
JUA-UNI-a9dfaed1-5
0.340
JUA-UNI-bc099708-3
0.323
MED-COV-4280ac29-22
0.320
JUA-UNI-b93289a4-4
0.305
BAR-COM-4e090d3a-29
0.304
JUA-UNI-a9dfaed1-1
0.302
JUA-UNI-a9dfaed1-6
0.287
SAD-SAT-f0a2747f-3
0.282
LON-WEI-af038623-2
0.265
NEL-UNI-1464a899-4
0.263
MAK-UNK-194150d3-7
0.261
NIM-UNI-bb9030bf-1
0.258
JUA-UNI-b93289a4-5
0.255
MAR-LAB-efb042c5-6
0.253
MAT-POS-b5746674-60
0.250
MAT-POS-b5746674-59
0.247
ALP-POS-b0bc6a46-2
0.243
ALP-POS-02c6a514-2
0.243
NIM-NMI-8bb27a2b-10
0.243
AAR-UNI-c25c2f1e-47
0.242
DAV-IMP-59dd6621-7
0.242
AAR-UNI-c25c2f1e-100
0.242
GIA-UNK-3f36037a-5
0.241
NIM-NMI-8bb27a2b-20
0.241
MAK-UNK-b1d4dcd7-6
0.240
MAK-UNK-009ebe36-8
0.240
BAR-COM-4e090d3a-47
0.238
BRU-THA-92256091-7
0.237
DAR-DIA-076fb6ea-2
0.235
SAD-SAT-1f400d17-1
0.235
SAD-SAT-1f400d17-8
0.233
WIL-UNI-5578df48-8
0.233
MAK-UNK-194150d3-3
0.233
MAT-POS-b5746674-58
0.232
MAT-POS-b5746674-62
0.232
LON-WEI-af038623-9
0.232
LON-WEI-adc59df6-40
0.231
MAK-UNK-f983951f-13
0.231
ALE-UNK-fca05062-4
0.229
SAD-SAT-1f400d17-7
0.229
WIL-UNI-5578df48-3
0.228
ALP-POS-e980f4ea-64
0.228
JAN-GHE-d851b096-1
0.228
JUA-UNI-b93289a4-6
0.227
RUT-UNI-630c5802-2
0.227
MAR-TRE-66ac689e-34
0.227
ANT-DIA-b7f58f21-4
0.227
NAU-LAT-64f4b287-9
0.226
NIM-NMI-8bb27a2b-12
0.225
MAK-UNK-10dfa458-9
0.225
JAN-GHE-76def03c-2
0.224
RUT-UNI-630c5802-19
0.224
ALP-POS-c0c213c9-14
0.222
MIC-SGC-657978c3-3
0.222
ALP-POS-ced8ea4d-64
0.222
RUT-UNI-630c5802-10
0.221
ALP-POS-a3de0cb1-15
0.221
PET-UNK-e8c7a26f-2
0.221
MAK-UNK-f983951f-22
0.220
MAT-POS-b5746674-61
0.219
JUA-UNI-bc099708-5
0.218
NIM-NMI-8bb27a2b-18
0.218
TRY-UNI-69298daf-1
0.218
MAR-TRE-3e4e6814-84
0.217
MIC-SGC-657978c3-5
0.216
JOH-UNI-e19b918c-4
0.216
MED-COV-4280ac29-28
0.216
MAT-POS-ea426761-98
0.216
VIJ-CYC-1a381570-10
0.215
DAN-RED-da448e80-20
0.215
ALP-POS-0c2c77e1-1
0.214
MIC-SGC-657978c3-4
0.214
SAN-PRS-52b81272-2
0.214
GIA-UNK-3f36037a-4
0.214
NIM-UNI-bb9030bf-14
0.214
MAT-POS-bb423b95-3
0.214
UNK-UNK-2ede4078-14
0.214
MAR-TRE-87acfbcc-31
0.214
YUN-WES-58b0dbae-2
0.214
YUN-WES-64c64eb2-1
0.214
MAT-POS-c0143b99-1
0.214
TRY-UNI-714a760b-2
0.213
ANT-OPE-c0c3e7cc-1
0.213
MAR-TRE-87acfbcc-28
0.213
SAD-SAT-d8079f6f-8
0.213
AAR-UNI-c25c2f1e-70
0.212
JOH-UNI-c7afdb96-15
0.212
MAR-TRE-b77b7921-34
0.212
MIC-FED-19b1f86d-4
0.211
MAK-UNK-194150d3-12
0.211
ALE-UNK-fca05062-3
0.211
MAK-UNK-b2c98f02-7
0.211
DAR-DIA-2b784ede-54
0.211
SAD-SAT-c989feaa-4
0.211
AAR-UNI-c25c2f1e-45
0.211
SAD-SAT-b55127ae-8
0.210
SAD-SAT-2ceae68f-10
0.210
DAN-RED-da448e80-18
0.210