Molecular Properties | |
SMILES: | COc1ccc(NC(=O)[C@@H]2CN(C(=O)CCl)CCN2S(=O)(=O)c2ccsc2)cc1 |
MW: | 457.05 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.02 |
cLogP: | 1.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.449985003184668 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-ee51dedd-2
DAN-MCD-c163c0bb-1
0.769
DAN-MCD-a37c31cb-1
0.744
DAN-MCD-e5161b06-1
0.744
DAN-MCD-68a9aade-1
0.744
DAN-MCD-50d01569-1
0.659
DAN-MCD-3bfdcef2-1
0.647
DAN-MCD-0742953f-1
0.641
DAN-MCD-02570321-1
0.622
DAN-MCD-0fb4364c-1
0.621
DAN-MCD-7eba3d41-1
0.605
DAN-MCD-93e7aadc-1
0.591
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-52f1549c-1
0.578
DAN-MCD-9950a804-1
0.578
DAN-MCD-b3a5626f-1
0.573
DAN-MCD-9b81d1fa-1
0.573
DAN-MCD-3ec20f87-1
0.529
DAN-MCD-cb24a79d-1
0.505
DAN-MCD-881986d8-1
0.423
MAT-POS-ee51dedd-2
0.407
DAN-MCD-34fd4f29-1
0.406
DAN-MCD-1c3944e2-1
0.400
DAV-UNK-07f953a2-2
0.380
MAK-UNK-7c9d1431-17
0.360
MAT-POS-b5746674-56
0.337
DUN-NEW-f8ce3686-22
0.333
SAD-SAT-bc31ec01-9
0.333
MAK-UNK-6435e6c2-10
0.333
MAK-UNK-4c6b313a-1
0.333
MAK-UNK-6435e6c2-11
0.333
MAK-UNK-7264f48c-2
0.327
NIM-UNI-05f93fcc-15
0.327
PEI-IMP-668afc53-2
0.320
MAK-UNK-212f693e-13
0.318
DAN-MCD-5390ac8b-1
0.318
AAR-POS-0daf6b7e-18
0.318
SAL-INS-1ea6d4ee-4
0.314
MAK-UNK-10dfa458-18
0.314
MAK-UNK-7264f48c-1
0.313
MAK-UNK-212f693e-9
0.310
MAK-UNK-6ca90168-20
0.310
PEI-IMP-ca0b2813-3
0.309
MAK-UNK-7264f48c-6
0.308
LON-WEI-120e5cf5-10
0.308
MAK-UNK-7c9d1431-30
0.305
MAR-TRE-6a44bbf2-45
0.305
MAK-UNK-7264f48c-3
0.305
MAK-UNK-e4a48a85-2
0.303
MAR-TRE-6a44bbf2-77
0.300
LON-WEI-120e5cf5-17
0.299
AAR-POS-5507155c-2
0.299
LON-WEI-120e5cf5-1
0.299
AAR-POS-f650c5f2-4
0.299
MAK-UNK-7264f48c-4
0.298
PEI-IMP-668afc53-1
0.297
DRA-CSI-47e38074-6
0.296
MAK-UNK-10dfa458-46
0.295
LON-WEI-120e5cf5-3
0.295
MAK-UNK-7264f48c-5
0.294
MAK-UNK-212f693e-11
0.293
MAK-UNK-e4a48a85-1
0.292
SAD-SAT-29425be4-17
0.289
MAK-UNK-212f693e-10
0.289
SAL-INS-1ea6d4ee-3
0.287
GIA-UNK-4de5abb1-5
0.286
LON-WEI-120e5cf5-20
0.286
JOE-SYG-2c9a1216-1
0.284
KEI-TRE-d5e2018a-84
0.283
MAR-TRE-a3327163-40
0.281
LON-WEI-120e5cf5-4
0.280
NIM-UNI-43fe0159-7
0.280
MAR-TRE-6c5ef77a-25
0.279
MAK-UNK-212f693e-19
0.278
MAK-UNK-212f693e-32
0.278
ANT-STE-dbb91f63-1
0.277
MAK-UNK-7c9d1431-22
0.277
ANT-OPE-7824651a-1
0.276
MAK-UNK-3e0761f8-1
0.276
LON-WEI-120e5cf5-19
0.276
MAK-UNK-7c9d1431-19
0.274
MAK-UNK-212f693e-12
0.274
AAR-POS-0daf6b7e-13
0.273
MAK-UNK-212f693e-8
0.273
LON-WEI-8f408cad-7
0.273
MAK-UNK-987948f6-15
0.272
PEI-IMP-ca0b2813-1
0.272
MAR-TRE-f5c2d31c-76
0.270
MAK-UNK-90d0606b-10
0.269
DAN-LON-a5fc619e-7
0.269
MAR-TRE-6a44bbf2-32
0.269
MAK-UNK-3f402c2b-27
0.269
ABB-MCD-f8003a30-1
0.269
MAK-UNK-e4a48a85-24
0.269
MAK-UNK-90d0606b-2
0.267
MAR-TRE-6a44bbf2-52
0.267
AAR-POS-d2a4d1df-22
0.267
LON-WEI-8f408cad-3
0.267