Molecular Properties | |
SMILES: | O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 455.07 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 86.79 |
cLogP: | 1.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.27870293404732 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-9950a804-1
1.000
DAN-MCD-9b81d1fa-1
0.753
DAN-MCD-b3a5626f-1
0.753
DAN-MCD-34fd4f29-1
0.714
DAN-MCD-a37c31cb-1
0.683
DAN-MCD-68a9aade-1
0.683
DAN-MCD-e5161b06-1
0.683
DAN-MCD-8aee1169-1
0.636
DAN-MCD-52f1549c-1
0.636
DAN-MCD-9cdc9f7f-1
0.625
DAN-MCD-f396e45b-1
0.625
DAN-MCD-93e7aadc-1
0.614
DAN-MCD-c163c0bb-1
0.591
DAN-MCD-0fb4364c-1
0.589
DAN-MCD-3bfdcef2-1
0.578
DAN-MCD-0c04f563-1
0.578
DAN-MCD-7eba3d41-1
0.573
DAN-MCD-50d01569-1
0.558
DAN-MCD-cb24a79d-1
0.543
DAN-MCD-02570321-1
0.542
DAN-MCD-1c3944e2-1
0.527
DAN-MCD-3ec20f87-1
0.517
DAN-MCD-0742953f-1
0.515
DAN-MCD-5390ac8b-1
0.430
MAT-POS-ee51dedd-2
0.398
DAN-MCD-881986d8-1
0.386
BEN-DND-362d364a-1
0.373
AHN-SAT-de2502ba-1
0.344
DUN-NEW-f8ce3686-22
0.341
PAU-WEI-c6d65c11-1
0.340
BEN-DND-362d364a-5
0.339
ANT-DIA-b7f58f21-4
0.338
MAK-UNK-31051d4e-4
0.337
SAL-INS-1ea6d4ee-4
0.333
MAK-UNK-af83ef51-2
0.333
DUN-NEW-f8ce3686-25
0.327
JOE-SYG-2c9a1216-1
0.317
SAD-SAT-c989feaa-4
0.312
MAK-UNK-10dfa458-39
0.312
MAK-UNK-31051d4e-5
0.311
MAK-UNK-31051d4e-6
0.311
MAK-UNK-15efde89-1
0.311
MAR-TRE-6a44bbf2-21
0.310
MAK-UNK-7c9d1431-9
0.310
DRR-IMP-38dce17f-3
0.310
MAK-UNK-7c9d1431-24
0.310
MAK-UNK-4c6b313a-1
0.310
MAK-UNK-6435e6c2-11
0.310
MAK-UNK-6435e6c2-10
0.310
MAR-TRE-6a44bbf2-9
0.309
MAK-UNK-7264f48c-2
0.308
SAL-INS-1ea6d4ee-3
0.306
MAR-TRE-6a44bbf2-28
0.300
MAK-UNK-7c9d1431-23
0.300
MAK-UNK-ec98eaf6-58
0.299
MAK-UNK-69bf97dd-1
0.299
MAK-UNK-212f693e-13
0.297
SAD-SAT-bc31ec01-9
0.295
PAU-WEI-b9b69149-1
0.294
YOI-UNK-12211982-4
0.292
YOI-UNK-a533afbc-4
0.292
MAK-UNK-10dfa458-18
0.292
MAR-TRE-0fda4e82-1
0.291
MAK-UNK-194150d3-10
0.291
MAC-MCD-76766525-1
0.290
PAU-WEI-b9b69149-4
0.290
MAK-UNK-7264f48c-6
0.290
MAK-UNK-10dfa458-46
0.289
SIM-SYN-7db9eb24-1
0.288
DAN-LON-a5fc619e-7
0.288
MAK-UNK-6ca90168-20
0.287
MAK-UNK-212f693e-11
0.287
PEI-IMP-e4a008a2-1
0.287
MAK-UNK-212f693e-32
0.286
PAU-WEI-b9b69149-7
0.286
MAK-UNK-ec98eaf6-48
0.283
NAU-LAT-f723e322-5
0.283
MAK-UNK-212f693e-8
0.281
AHN-SAT-de2502ba-7
0.281
LON-WEI-8f408cad-7
0.281
AAR-POS-0daf6b7e-13
0.281
PEI-IMP-ca0b2813-1
0.280
MAK-UNK-7c9d1431-27
0.280
MAK-UNK-987948f6-2
0.279
BEN-DND-03406596-1
0.278
BEN-DND-76ad4ac9-9
0.278
SAD-SAT-29425be4-29
0.278
DAN-LON-a5fc619e-1
0.276
SAD-SAT-c989feaa-9
0.275
MAK-UNK-7264f48c-3
0.275
MAK-UNK-212f693e-9
0.275
SAD-SAT-c989feaa-3
0.275
MAK-UNK-f983951f-13
0.274
SAD-SAT-65574d3f-3
0.274
WIL-LEE-23e8b574-2
0.272
MAK-UNK-27459e11-4
0.271
ALE-UNK-fca05062-4
0.270
MAK-UNK-7264f48c-1
0.269
BEN-DND-03406596-10
0.269
MAR-TRE-6a44bbf2-18
0.269