Molecular Properties | |
SMILES: | O=C(NCC1CCCCC1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 447.11 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 1.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.10001201844643 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-7eba3d41-1
0.683
DAN-MCD-9b81d1fa-1
0.628
DAN-MCD-b3a5626f-1
0.628
DAN-MCD-8aee1169-1
0.614
DAN-MCD-9950a804-1
0.614
DAN-MCD-1a622181-1
0.614
DAN-MCD-52f1549c-1
0.614
DAN-MCD-c163c0bb-1
0.605
DAN-MCD-e5161b06-1
0.600
DAN-MCD-a37c31cb-1
0.600
DAN-MCD-68a9aade-1
0.600
DAN-MCD-0c04f563-1
0.591
DAN-MCD-3bfdcef2-1
0.573
DAN-MCD-0fb4364c-1
0.567
DAN-MCD-f396e45b-1
0.567
DAN-MCD-9cdc9f7f-1
0.567
DAN-MCD-3ec20f87-1
0.547
DAN-MCD-0742953f-1
0.541
DAN-MCD-02570321-1
0.537
DAN-MCD-50d01569-1
0.537
DAN-MCD-cb24a79d-1
0.522
DAN-MCD-881986d8-1
0.468
DAN-MCD-1c3944e2-1
0.429
DAN-MCD-34fd4f29-1
0.420
MAT-POS-ee51dedd-2
0.407
DAN-MCD-5390ac8b-1
0.356
MAK-UNK-212f693e-32
0.322
MAK-UNK-212f693e-13
0.318
MAK-UNK-7264f48c-3
0.317
MAK-UNK-6435e6c2-11
0.317
MAK-UNK-6435e6c2-10
0.317
MAK-UNK-4c6b313a-1
0.317
SAD-SAT-bc31ec01-9
0.302
MAK-UNK-10dfa458-18
0.299
MAK-UNK-10dfa458-46
0.295
MAK-UNK-7264f48c-6
0.295
MAK-UNK-6ca90168-20
0.294
MAK-UNK-212f693e-11
0.293
MAK-UNK-69bf97dd-1
0.292
DUN-NEW-f8ce3686-22
0.290
SAL-INS-1ea6d4ee-4
0.290
MAK-UNK-212f693e-10
0.289
MAK-UNK-7264f48c-2
0.288
MAK-UNK-7264f48c-1
0.287
MAK-UNK-987948f6-15
0.286
JOE-SYG-2c9a1216-1
0.284
MAK-UNK-69bf97dd-9
0.282
MAK-UNK-212f693e-9
0.281
WAR-XCH-72a8c209-5
0.280
MAK-UNK-e4a48a85-1
0.278
SAN-PRS-52b81272-1
0.278
SAD-SAT-89668ff1-2
0.277
MAK-UNK-7264f48c-4
0.274
SAD-SAT-9a6c5cf3-9
0.274
MAK-UNK-69bf97dd-7
0.274
DAV-UNK-07f953a2-2
0.274
AAR-POS-0daf6b7e-13
0.273
LON-WEI-8f408cad-7
0.273
MAK-UNK-212f693e-8
0.273
MAK-UNK-212f693e-20
0.273
DUN-NEW-f8ce3686-3
0.273
PEI-IMP-ca0b2813-1
0.272
MAK-UNK-7264f48c-5
0.269
MAK-UNK-212f693e-16
0.267
DRR-IMP-11d47bff-1
0.267
AAR-POS-d2a4d1df-22
0.267
LON-WEI-8f408cad-3
0.267
MAR-TRE-6a44bbf2-52
0.267
MAK-UNK-69bf97dd-8
0.267
MAK-UNK-bdda130a-7
0.266
BEN-DND-76ad4ac9-7
0.266
MAK-UNK-e4a48a85-2
0.265
SAD-SAT-29425be4-6
0.265
NIM-UNI-05f93fcc-1
0.264
SAL-INS-1ea6d4ee-3
0.264
SAD-SAT-65574d3f-6
0.262
YOI-UNK-a533afbc-4
0.262
YOI-UNK-12211982-4
0.262
AAR-POS-0daf6b7e-16
0.261
MAK-UNK-69bf97dd-10
0.261
MAK-UNK-6ca90168-22
0.260
GIA-UNK-20b63697-6
0.260
MAK-UNK-212f693e-12
0.260
NIR-THE-0d6461ce-5
0.260
SAD-SAT-29425be4-17
0.260
MAR-TRE-6a44bbf2-21
0.258
MAK-UNK-7c9d1431-9
0.258
MAK-UNK-c74072e5-8
0.258
MAK-UNK-7c9d1431-17
0.258
BEN-DND-76ad4ac9-13
0.258
BEN-DND-03406596-5
0.258
TAT-ENA-80bfd3e5-10
0.257
AAR-POS-d2a4d1df-30
0.257
TAT-ENA-80bfd3e5-13
0.257
NIR-THE-99f25457-2
0.257
DAN-LON-a5fc619e-7
0.257
PAU-WEI-c6d65c11-1
0.257
SAD-SAT-c989feaa-9
0.257
MAK-UNK-e4a48a85-24
0.257
MAK-UNK-69bf97dd-3
0.257