Molecular Properties | |
SMILES: | O=C(CCl)Nc1nc2c(S(=O)(=O)NCCc3ccccc3)cccc2s1 |
MW: | 409.92 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 2.9946 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-871 |
Activity Data | |
IC50 (µM) - Fluorescence: | 18.9027892552004 |
IC50 (µM) - RapidFire: | 8.54762125517709 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
Hetero_hetero
aminothiazole
AAR-POS-0daf6b7e-4
0.443
WAL-WAB-df110a02-1
0.424
MAK-UNK-07311286-2
0.386
MAK-UNK-07311286-1
0.369
SUG-SAT-4be79373-3
0.358
AAR-POS-d2a4d1df-1
0.357
MAK-UNK-27459e11-3
0.355
MIH-UNI-6b9ca91a-6
0.354
MAK-UNK-b2c98f02-2
0.350
MAK-UNK-b2c98f02-1
0.343
MAK-UNK-b2c98f02-4
0.337
MAK-UNK-27459e11-1
0.333
MAK-UNK-27459e11-4
0.333
MAK-UNK-b2c98f02-3
0.333
MAK-UNK-31051d4e-3
0.330
SUG-SAT-4be79373-5
0.320
MAK-UNK-c44f4be0-2
0.318
MAK-UNK-27459e11-2
0.312
IND-SYN-8bc6954a-2
0.310
MAK-UNK-31051d4e-1
0.306
MAK-UNK-c44f4be0-1
0.306
MAK-UNK-f983951f-13
0.303
SUG-SAT-4be79373-2
0.302
ANT-DIA-b7f58f21-4
0.301
MAK-UNK-b2c98f02-6
0.300
MAK-UNK-8145c7a0-5
0.294
MAK-UNK-b2c98f02-9
0.291
MAK-UNK-31051d4e-2
0.290
MAK-UNK-8145c7a0-2
0.288
SUG-SAT-4be79373-1
0.287
MAK-UNK-b2c98f02-7
0.286
ALE-UNK-fca05062-4
0.280
MAK-UNK-8145c7a0-1
0.279
MAK-UNK-b2c98f02-5
0.279
SAD-SAT-6b5a89f0-8
0.278
SUG-SAT-4be79373-4
0.277
MAK-UNK-b2c98f02-8
0.275
ALE-UNK-fca05062-3
0.273
MAK-UNK-31051d4e-5
0.272
SAD-SAT-65574d3f-3
0.269
MAK-UNK-c44f4be0-8
0.269
MAK-UNK-8145c7a0-3
0.267
MAK-UNK-194150d3-8
0.267
MAR-TRE-66ac689e-50
0.266
MAK-UNK-194150d3-11
0.265
MAK-UNK-c44f4be0-6
0.262
YUN-WES-58b0dbae-5
0.261
MAK-UNK-194150d3-1
0.260
MAK-UNK-31051d4e-6
0.260
MAR-TRE-04c86cea-97
0.258
MAK-UNK-31051d4e-4
0.257
MED-COV-4280ac29-28
0.257
MAK-UNK-c44f4be0-9
0.255
MAK-UNK-c44f4be0-5
0.255
MAK-UNK-194150d3-2
0.253
MAK-UNK-8145c7a0-6
0.252
MAK-UNK-c44f4be0-7
0.252
PET-UNK-7fb4f80a-3
0.250
MAK-UNK-8145c7a0-7
0.250
MAR-TRE-0fda4e82-1
0.250
SAN-PRS-52b81272-2
0.250
ALP-POS-3b848b35-3
0.250
MAK-UNK-8145c7a0-4
0.248
DAN-MCD-1a622181-1
0.248
DAN-MCD-9950a804-1
0.248
MAT-POS-90fd5f68-35
0.248
MAR-TRE-ebcc4ad6-20
0.248
BAR-COM-4e090d3a-11
0.247
BEN-DND-1e24cf73-1
0.247
PET-UNK-158bee2a-4
0.247
TRY-UNI-714a760b-2
0.247
ANT-DIA-b7f58f21-1
0.247
MAK-UNK-27459e11-9
0.247
BEN-DND-362d364a-1
0.245
MAR-TRE-6a44bbf2-44
0.244
MAK-UNK-194150d3-12
0.244
MAK-UNK-f983951f-5
0.244
MAR-TRE-f6f5f473-7
0.243
RAL-THA-2d450e86-1
0.242
MAK-UNK-a7b37c5e-3
0.241
MAK-UNK-194150d3-10
0.241
MAK-UNK-f983951f-22
0.241
MAK-UNK-72659d64-10
0.241
MAT-POS-90fd5f68-29
0.240
JIN-POS-6dc588a4-5
0.240
MAK-UNK-df1a028e-4
0.240
MAK-UNK-10dfa458-39
0.239
MAK-UNK-194150d3-13
0.239
JAN-GHE-5a013bed-6
0.239
TRY-UNI-714a760b-5
0.239
NEL-UNI-1464a899-4
0.238
MAR-TRE-6a44bbf2-9
0.237
MAT-POS-ea426761-3
0.236
DAN-MCD-34fd4f29-1
0.236
JAN-GHE-5a013bed-7
0.236
NAU-LAT-e1818702-10
0.236
MAR-TRE-0fda4e82-24
0.236
MAT-POS-90fd5f68-27
0.236
MAR-TRE-6a44bbf2-23
0.234
PET-UNK-7fb4f80a-2
0.234