Molecular Properties | |
SMILES: | Cc1cccc(C)c1NC(=O)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 455.07 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 86.79 |
cLogP: | 2.44 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.6357415470203 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-ee51dedd-2
DAN-MCD-e5161b06-1
0.679
DAN-MCD-a37c31cb-1
0.679
DAN-MCD-68a9aade-1
0.679
DAN-MCD-0c04f563-1
0.647
DAN-MCD-c163c0bb-1
0.643
DAN-MCD-02570321-1
0.640
DAN-MCD-0fb4364c-1
0.640
DAN-MCD-0742953f-1
0.624
DAN-MCD-50d01569-1
0.622
DAN-MCD-9b81d1fa-1
0.609
DAN-MCD-b3a5626f-1
0.609
DAN-MCD-7eba3d41-1
0.586
DAN-MCD-f396e45b-1
0.584
DAN-MCD-9cdc9f7f-1
0.584
DAN-MCD-8aee1169-1
0.578
DAN-MCD-1a622181-1
0.578
DAN-MCD-9950a804-1
0.578
DAN-MCD-52f1549c-1
0.578
DAN-MCD-93e7aadc-1
0.573
DAN-MCD-3ec20f87-1
0.547
DAN-MCD-cb24a79d-1
0.522
DAN-MCD-1c3944e2-1
0.443
DAN-MCD-881986d8-1
0.423
DAN-MCD-34fd4f29-1
0.420
MAT-POS-ee51dedd-2
0.407
DAN-MCD-5390ac8b-1
0.369
TAT-ENA-80bfd3e5-30
0.364
MAK-UNK-4c6b313a-1
0.333
MAK-UNK-7264f48c-6
0.333
MAK-UNK-6435e6c2-10
0.333
MAK-UNK-6435e6c2-11
0.333
MAK-UNK-7264f48c-3
0.330
MAK-UNK-7264f48c-2
0.327
MAK-UNK-7264f48c-5
0.320
DUN-NEW-f8ce3686-22
0.319
SAD-SAT-bc31ec01-9
0.318
MAK-UNK-10dfa458-18
0.314
MAK-UNK-7264f48c-1
0.313
MAK-UNK-7264f48c-4
0.311
MAK-UNK-212f693e-13
0.303
SAL-INS-1ea6d4ee-4
0.302
JOE-SYG-2c9a1216-1
0.297
MAK-UNK-10dfa458-46
0.295
DAN-LON-a5fc619e-7
0.294
MAK-UNK-6ca90168-20
0.294
MAK-UNK-af83ef51-15
0.291
LON-WEI-120e5cf5-21
0.289
LON-WEI-8f408cad-7
0.287
MAK-UNK-212f693e-8
0.287
MAK-UNK-6ca90168-10
0.287
AAR-POS-0daf6b7e-13
0.287
MAK-UNK-7c9d1431-11
0.287
MAR-TRE-6a44bbf2-65
0.287
TAT-ENA-80bfd3e5-43
0.287
PEI-IMP-ca0b2813-1
0.286
MAC-MCD-76766525-1
0.285
PEI-IMP-ca0b2813-3
0.281
SAD-SAT-c989feaa-9
0.280
SAD-SAT-c989feaa-3
0.280
MAK-UNK-e4a48a85-1
0.278
MAK-UNK-212f693e-32
0.278
MAK-UNK-e4a48a85-2
0.277
SAL-INS-1ea6d4ee-3
0.275
MAR-TRE-6a44bbf2-18
0.275
AAR-POS-d2a4d1df-23
0.275
LON-WEI-8f408cad-4
0.275
BEN-DND-03406596-10
0.275
MAK-UNK-7c9d1431-9
0.273
MAR-TRE-6a44bbf2-21
0.273
MAR-TRE-6a44bbf2-26
0.272
MAK-UNK-7c9d1431-8
0.272
TAT-ENA-80bfd3e5-10
0.270
STE-UNK-13e151dd-1
0.270
DRR-IMP-dff87f5e-8
0.269
MAK-UNK-69bf97dd-1
0.269
MAK-UNK-7c9d1431-4
0.268
DAN-LON-a5fc619e-1
0.268
TAT-ENA-80bfd3e5-25
0.268
IND-SYN-6c8299e8-2
0.268
SEL-UNI-cd366922-9
0.267
MAR-LAB-efb042c5-5
0.267
LON-WEI-8f408cad-3
0.267
AAR-POS-d2a4d1df-22
0.267
MAR-TRE-6a44bbf2-52
0.267
AAR-POS-d2a4d1df-27
0.267
MAR-TRE-6a44bbf2-68
0.267
MAK-UNK-212f693e-9
0.267
BEN-DND-362d364a-1
0.266
BEN-DND-76ad4ac9-7
0.266
MAK-UNK-212f693e-11
0.266
MAK-UNK-7c9d1431-13
0.264
MAK-UNK-6ca90168-4
0.264
MAR-TRE-6a44bbf2-78
0.264
MIK-MCD-8542a490-1
0.264
BEN-DND-362d364a-5
0.263
BEN-DND-362d364a-2
0.263
LON-WEI-120e5cf5-19
0.263
BEN-DND-362d364a-4
0.262
YOI-UNK-a533afbc-4
0.262
YOI-UNK-12211982-4
0.262