Molecular Properties | |
SMILES: | O=C(NC1CCCCC1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 433.09 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 86.79 |
cLogP: | 1.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.1425293767718 |
Order Status | |
Shipped: | synthesis in progress |
Hetero_hetero
DAN-MCD-881986d8-1
0.700
DAN-MCD-93e7aadc-1
0.683
DAN-MCD-c163c0bb-1
0.619
DAN-MCD-e5161b06-1
0.614
DAN-MCD-a37c31cb-1
0.614
DAN-MCD-68a9aade-1
0.614
DAN-MCD-0c04f563-1
0.605
DAN-MCD-0fb4364c-1
0.598
DAN-MCD-8aee1169-1
0.591
DAN-MCD-52f1549c-1
0.591
DAN-MCD-9b81d1fa-1
0.586
DAN-MCD-b3a5626f-1
0.586
DAN-MCD-3bfdcef2-1
0.586
DAN-MCD-f396e45b-1
0.580
DAN-MCD-9cdc9f7f-1
0.580
DAN-MCD-1a622181-1
0.573
DAN-MCD-9950a804-1
0.573
DAN-MCD-3ec20f87-1
0.560
DAN-MCD-50d01569-1
0.548
DAN-MCD-02570321-1
0.548
DAN-MCD-0742953f-1
0.520
DAN-MCD-cb24a79d-1
0.500
MAT-POS-ee51dedd-2
0.418
DAN-MCD-1c3944e2-1
0.394
DAN-MCD-34fd4f29-1
0.386
MAK-UNK-212f693e-13
0.341
DAN-MCD-5390ac8b-1
0.337
MAK-UNK-6435e6c2-10
0.325
MAK-UNK-6435e6c2-11
0.325
MAK-UNK-4c6b313a-1
0.325
MAK-UNK-7264f48c-6
0.314
MAK-UNK-7264f48c-3
0.311
SAD-SAT-bc31ec01-9
0.310
MAK-UNK-7264f48c-2
0.307
MAK-UNK-10dfa458-18
0.306
MAK-UNK-10dfa458-46
0.302
MAK-UNK-69bf97dd-10
0.302
MAK-UNK-6ca90168-20
0.301
MAK-UNK-212f693e-32
0.299
DUN-NEW-f8ce3686-22
0.297
SAL-INS-1ea6d4ee-4
0.295
NIM-UNI-310206f0-18
0.292
JOE-SYG-2c9a1216-1
0.290
MAK-UNK-7264f48c-5
0.287
MAK-UNK-212f693e-11
0.286
NIM-UNI-310206f0-56
0.283
MAK-UNK-3d7e3904-1
0.281
MAK-UNK-212f693e-10
0.281
SAD-SAT-edc8a235-1
0.280
MAK-UNK-7264f48c-1
0.280
MAK-UNK-212f693e-20
0.279
AAR-POS-0daf6b7e-13
0.279
LON-WEI-8f408cad-7
0.279
MAK-UNK-212f693e-8
0.279
MAK-UNK-7264f48c-4
0.279
SAD-SAT-9a6c5cf3-9
0.279
PEI-IMP-ca0b2813-1
0.278
MAK-UNK-69bf97dd-9
0.275
DRR-IMP-11d47bff-1
0.274
MAK-UNK-69bf97dd-1
0.274
MAK-UNK-e4a48a85-24
0.274
SAD-SAT-c989feaa-3
0.273
MAK-UNK-212f693e-9
0.273
WAR-XCH-79d12f6e-4
0.272
MAK-UNK-e4a48a85-1
0.271
MAK-UNK-e4a48a85-2
0.270
MAK-UNK-212f693e-19
0.270
MAK-UNK-212f693e-33
0.270
SAL-INS-1ea6d4ee-3
0.269
SAD-SAT-65574d3f-6
0.268
DAR-DIA-03336633-12
0.268
DAV-UNK-07f953a2-2
0.267
MAK-UNK-69bf97dd-7
0.267
MAK-UNK-6ca90168-22
0.266
GIA-UNK-20b63697-6
0.266
DUN-NEW-f8ce3686-3
0.265
NIR-THE-0d6461ce-5
0.265
MAK-UNK-7c9d1431-9
0.264
MAR-TRE-6a44bbf2-21
0.264
MAK-UNK-987948f6-15
0.264
GIA-UNK-a79af1bc-1
0.264
MAK-UNK-c74072e5-8
0.264
SAD-SAT-29425be4-17
0.264
JOH-UNI-27ac80fd-28
0.263
TAT-ENA-80bfd3e5-13
0.263
NIM-UNI-05f93fcc-13
0.263
TAT-ENA-80bfd3e5-10
0.263
AAR-POS-d2a4d1df-30
0.263
NIR-THE-99f25457-2
0.262
PAU-WEI-c6d65c11-1
0.262
DAN-LON-a5fc619e-7
0.262
NIM-UNI-310206f0-63
0.262
MAK-UNK-69bf97dd-3
0.262
MAK-UNK-e4a48a85-23
0.262
MAK-UNK-69bf97dd-2
0.261
MAK-UNK-f2409524-20
0.260
MAK-UNK-69bf97dd-8
0.260
AAR-POS-d2a4d1df-22
0.258
MAR-TRE-6a44bbf2-52
0.258
PEI-IMP-ca0b2813-2
0.258