Molecular Properties | |
SMILES: | CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cc2ccccc2)n1 |
MW: | 401.06 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.02 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26601622 |
Enamine SCR: | Z237618542 |
Mcule: | MCULE-2451729083 |
MolPort: | MolPort-005-689-403 |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.504481994814496 |
IC50 (µM) - RapidFire: | 0.8260412488453 |
Order Status | |
Ordered: | 2020-06-15 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
Activated haloaromatics
LON-WEI-ff7b210a-5
0.362
MAR-TRE-9d18ae8c-14
0.360
MAR-TRE-9d18ae8c-35
0.341
LON-WEI-4d77710c-10
0.333
LON-WEI-5e7d1b3e-10
0.333
UNK-UNK-2ede4078-59
0.312
WIL-UNI-5578df48-11
0.311
MAR-TRE-66ac689e-30
0.293
RIT-AID-b8bd8251-1
0.293
COM-UCB-1ef4e90e-20
0.291
MAR-TRE-9d18ae8c-69
0.290
MAK-UNK-a7b37c5e-3
0.279
DAR-DIA-0587064e-5
0.278
RAL-THA-1d44ff04-11
0.276
RAL-THA-1d44ff04-5
0.269
DAR-DIA-0587064e-6
0.268
AAR-UNI-c25c2f1e-38
0.265
RAL-THA-1d44ff04-9
0.264
RAL-THA-2d450e86-1
0.264
SID-ELM-8b394441-6
0.264
PET-UNK-bb7ffe78-3
0.262
MAT-POS-90fd5f68-10
0.262
PET-UNK-7fb4f80a-1
0.262
RAL-THA-1d44ff04-13
0.260
MAT-POS-90fd5f68-28
0.259
DAR-DIA-0587064e-4
0.259
VLA-UNK-9a7dc93f-1
0.257
ALP-POS-df536be7-5
0.257
MAR-TRE-799db12b-74
0.255
MAT-POS-90fd5f68-9
0.255
MAT-POS-c20a539d-8
0.255
PET-UNK-1e7f2e90-1
0.255
LON-WEI-9739a092-9
0.254
SIM-DEM-f31d0e65-1
0.253
NAU-LAT-2fed8305-5
0.253
MAT-POS-3b92565d-2
0.252
ALP-POS-3b848b35-1
0.252
RAL-THA-1d44ff04-4
0.252
RAL-THA-2d450e86-18
0.252
PET-UNK-7fb4f80a-2
0.252
UNK-UNK-2ede4078-30
0.252
PET-UNK-b87f07d0-1
0.252
PET-UNK-b87f07d0-2
0.252
DAR-DIA-0587064e-7
0.252
MAR-TRE-66ac689e-24
0.250
MAT-POS-fce787c2-2
0.250
MAT-POS-fce787c2-1
0.250
MIC-UNK-e8d6fb58-3
0.248
NAU-LAT-0543f7f2-9
0.248
PET-UNK-8c422e11-4
0.248
DAR-DIA-0587064e-2
0.248
RAL-THA-1d44ff04-10
0.248
MAT-POS-90fd5f68-20
0.248
RAL-THA-2d450e86-15
0.248
ALP-POS-df536be7-6
0.245
MAT-POS-90fd5f68-2
0.245
PET-UNK-bb7ffe78-1
0.245
RAL-THA-2d450e86-33
0.245
BEN-DND-93268d01-14
0.245
SID-ELM-8b394441-7
0.245
PET-UNK-b87f07d0-3
0.243
MIC-UNK-fbef42b7-2
0.243
MAT-POS-90fd5f68-17
0.243
KEI-TRE-d5e2018a-56
0.243
MAT-POS-90fd5f68-27
0.243
MAT-POS-90fd5f68-35
0.243
BAR-COM-4e090d3a-4
0.243
JIA-UNI-12b1f9ae-2
0.243
MIC-UNK-df9dcda8-1
0.243
MAT-POS-90fd5f68-37
0.243
MED-COV-4280ac29-19
0.243
RAL-THA-2d450e86-22
0.243
VLA-UNK-b9c208fe-2
0.242
TRY-UNI-714a760b-2
0.242
RAL-THA-1d44ff04-2
0.241
PET-UNK-372a2f82-1
0.241
MAT-POS-90fd5f68-12
0.241
MAT-POS-90fd5f68-30
0.241
IAN-BAS-5ff43d1c-1
0.240
PED-UNI-5b7f1100-1
0.240
PED-UNI-8d53fd73-1
0.240
DAN-RED-da448e80-1
0.240
DRE-WAB-eb790b7a-1
0.240
JIA-UNI-12b1f9ae-1
0.240
RAL-THA-2d450e86-36
0.240
MAR-TRE-6a44bbf2-97
0.239
SID-ELM-8b394441-3
0.239
PET-UNK-c6bcc80b-7
0.239
MAT-POS-90fd5f68-25
0.238
PET-UNK-d899bab6-1
0.238
MAT-POS-c20a539d-1
0.238
RAL-THA-2d450e86-17
0.238
EDJ-MED-c5ca5386-2
0.238
MIC-UNK-16ccb665-3
0.238
MAT-POS-cc05818f-1
0.238
MAT-POS-90fd5f68-7
0.238
MAT-POS-afd4d4fd-1
0.238
RAL-THA-2d450e86-20
0.238
RAL-THA-2d450e86-30
0.237
LON-WEI-9739a092-7
0.237