Molecular Properties | |
SMILES: | O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c(=O)[nH]1 |
MW: | 371.15 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 112.33 |
cLogP: | 0.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
Ester
DRA-CSI-47e38074-2
0.471
DRA-CSI-47e38074-12
0.466
DRA-CSI-47e38074-3
0.446
DRA-CSI-47e38074-5
0.443
DRA-CSI-47e38074-4
0.436
DRA-CSI-47e38074-10
0.425
DRA-CSI-47e38074-13
0.415
DRA-CSI-47e38074-11
0.410
AAR-POS-fca48359-5
0.400
DRA-CSI-47e38074-6
0.391
DRA-CSI-47e38074-14
0.386
DRA-CSI-47e38074-16
0.380
DRA-CSI-47e38074-15
0.371
AAR-POS-fca48359-4
0.362
DRA-CSI-47e38074-8
0.360
DRA-CSI-47e38074-9
0.359
DRA-CSI-47e38074-7
0.356
MAR-TRE-f6f5f473-48
0.351
MAK-UNK-af83ef51-6
0.329
MAT-POS-b5746674-107
0.324
LON-WEI-5e7d1b3e-54
0.324
LON-WEI-4d77710c-54
0.324
MAK-UNK-212f693e-34
0.317
MAK-UNK-10dfa458-40
0.315
DUN-NEW-f8ce3686-25
0.312
MAK-UNK-212f693e-35
0.301
MAK-UNK-212f693e-32
0.298
MAT-POS-b5746674-16
0.292
NIR-THE-0d6461ce-4
0.289
MAK-UNK-10dfa458-10
0.287
NIR-THE-0d6461ce-8
0.284
RED-RED-10c9212c-19
0.282
GIA-UNK-5ec6c2b8-5
0.277
MAK-UNK-212f693e-16
0.272
SAD-SAT-29425be4-29
0.262
MAT-POS-ea426761-46
0.255
GIA-UNK-595fac82-5
0.250
KRI-MAR-d2e3ef86-5
0.250
BEN-DND-7e92b6ca-10
0.250
MAR-TRE-6a44bbf2-9
0.250
GIA-UNK-595fac82-2
0.250
COM-UCB-8c7d23dc-11
0.248
MAR-TRE-0fda4e82-52
0.247
DAN-LON-a5fc619e-10
0.245
AHN-SAT-de2502ba-1
0.245
MAK-UNK-af83ef51-2
0.244
MAK-UNK-7c9d1431-24
0.244
DRR-IMP-38dce17f-3
0.244
NAU-LAT-f723e322-5
0.243
MAR-TRE-87acfbcc-18
0.243
MAK-UNK-af83ef51-7
0.240
PAU-WEI-b9b69149-1
0.240
ALP-POS-305f6ec3-39
0.240
MAK-UNK-10dfa458-39
0.239
MAK-UNK-7c9d1431-23
0.239
MAR-TRE-6a44bbf2-28
0.239
WAR-XCH-b0339bbe-3
0.238
NIR-THE-0d6461ce-6
0.238
MAK-UNK-15efde89-1
0.236
NAU-LAT-ec9c7557-3
0.236
MAK-UNK-acefcb18-20
0.236
WIL-LEE-23e8b574-1
0.235
YOI-UNK-a533afbc-6
0.235
YOI-UNK-12211982-6
0.235
BEN-DND-76ad4ac9-9
0.234
MAK-UNK-af83ef51-8
0.234
BEN-DND-03406596-1
0.234
LON-WEI-120e5cf5-5
0.233
GIA-UNK-3f36037a-6
0.233
MAR-TRE-fd17a9b8-6
0.233
MAK-UNK-af83ef51-9
0.230
MAK-UNK-6ca90168-11
0.230
MAK-UNK-194150d3-11
0.229
DAV-UNI-bdcebb58-1
0.229
AAR-POS-fca48359-3
0.229
JON-UNI-bb9dc649-9
0.228
MAR-SOS-82e3a7c7-10
0.228
MAR-SOS-c7881798-11
0.228
MAT-UCB-70f7c0f7-5
0.227
GIA-UNK-20b63697-8
0.227
SAD-SAT-29425be4-27
0.226
GIA-UNK-5ec6c2b8-3
0.226
SAD-SAT-29425be4-23
0.225
MED-COV-4280ac29-17
0.225
AAR-POS-d2a4d1df-24
0.225
AAR-POS-0daf6b7e-5
0.225
RAL-MED-2de63afb-6
0.224
NIC-BIO-25446079-2
0.224
MAK-UNK-af83ef51-5
0.224
MAK-UNK-10dfa458-41
0.224
DAV-UNI-bdcebb58-4
0.224
NIC-BIO-f814dd3d-1
0.223
LON-WEI-120e5cf5-15
0.222
MAR-TRE-6a44bbf2-86
0.222
BEN-DND-362d364a-1
0.222
GIA-UNK-20b63697-7
0.222
GIA-UNK-995df016-10
0.222
MAK-UNK-b1d4dcd7-6
0.222
MAT-POS-b5746674-64
0.220
EDJ-MED-78f964c8-1
0.220