Molecular Properties | |
SMILES: | N#Cc1cccc(NC(=O)[C@@H]2CN(C(=O)CCl)CCN2S(=O)(=O)c2ccsc2)c1 |
MW: | 452.04 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 110.58 |
cLogP: | 1.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.415670372301805 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-ee51dedd-2
DAN-MCD-68a9aade-1
0.690
DAN-MCD-a37c31cb-1
0.690
DAN-MCD-e5161b06-1
0.690
DAN-MCD-50d01569-1
0.670
DAN-MCD-0742953f-1
0.670
DAN-MCD-3bfdcef2-1
0.640
DAN-MCD-c163c0bb-1
0.636
DAN-MCD-0c04f563-1
0.622
DAN-MCD-0fb4364c-1
0.598
DAN-MCD-b3a5626f-1
0.570
DAN-MCD-9b81d1fa-1
0.570
DAN-MCD-8aee1169-1
0.558
DAN-MCD-52f1549c-1
0.558
DAN-MCD-7eba3d41-1
0.548
DAN-MCD-f396e45b-1
0.547
DAN-MCD-9cdc9f7f-1
0.547
DAN-MCD-9950a804-1
0.542
DAN-MCD-1a622181-1
0.542
DAN-MCD-93e7aadc-1
0.537
DAN-MCD-3ec20f87-1
0.495
DAN-MCD-cb24a79d-1
0.475
TAT-ENA-80bfd3e5-10
0.430
NIM-UNI-310206f0-35
0.393
DAN-MCD-1c3944e2-1
0.390
NIM-UNI-310206f0-21
0.381
MAT-POS-ee51dedd-2
0.379
DAN-MCD-881986d8-1
0.371
DAN-MCD-34fd4f29-1
0.370
NIM-UNI-310206f0-30
0.363
SAD-SAT-c989feaa-2
0.340
MAK-UNK-10dfa458-40
0.330
DAN-MCD-5390ac8b-1
0.324
TRY-UNI-9f475305-10
0.324
DAR-DIA-23aa0b97-4
0.323
SAL-INS-1ea6d4ee-4
0.321
MAK-UNK-7264f48c-2
0.321
TAM-UNI-d1c3dd9f-16
0.320
MAK-UNK-10dfa458-46
0.319
TAM-UNI-d1c3dd9f-18
0.314
MAT-POS-ee51dedd-1
0.312
LON-WEI-120e5cf5-19
0.310
WAR-XCH-bdd24732-19
0.310
JOR-UNI-61e7b1d5-2
0.305
ANN-UNI-26382800-4
0.305
DAR-DIA-23aa0b97-5
0.305
WAR-XCH-eb7b662f-1
0.305
DAR-DIA-3e9bbd81-11
0.304
DUN-NEW-f8ce3686-22
0.299
MAK-UNK-212f693e-13
0.298
DAR-DIA-23aa0b97-3
0.297
MIC-UNK-2744a8e2-5
0.296
MAK-UNK-6435e6c2-11
0.295
MAK-UNK-6435e6c2-10
0.295
MAK-UNK-4c6b313a-1
0.295
DRR-IMP-dff87f5e-9
0.295
MAK-UNK-10dfa458-42
0.294
MAK-UNK-10dfa458-18
0.293
JOE-SYG-2c9a1216-1
0.292
DAR-DIA-23aa0b97-19
0.292
MIC-UNK-1e397c67-1
0.292
MIC-UNK-2744a8e2-13
0.292
ANN-UNI-26382800-6
0.292
MAC-MCD-76766525-1
0.291
MAK-UNK-7264f48c-6
0.291
PAU-WEI-b9b69149-4
0.291
MIC-UNK-2744a8e2-4
0.290
DAR-DIA-3e9bbd81-16
0.289
MAK-UNK-7264f48c-3
0.288
IND-SYN-6c8299e8-9
0.287
TRY-UNI-714a760b-24
0.287
MAK-UNK-e4a48a85-2
0.286
DAR-DIA-fb20be43-3
0.286
NIR-THE-c331be7a-2
0.286
BEN-DND-362d364a-3
0.283
PAU-WEI-b9b69149-6
0.283
MAK-UNK-7264f48c-1
0.283
TAT-ENA-80bfd3e5-43
0.283
MAK-UNK-6ca90168-22
0.283
MAR-TRE-6a44bbf2-65
0.283
DAR-DIA-23aa0b97-8
0.283
MAK-UNK-7c9d1431-11
0.283
SAD-SAT-bc31ec01-9
0.283
LON-WEI-120e5cf5-2
0.282
MAK-UNK-10dfa458-41
0.282
MIC-UNK-2744a8e2-3
0.281
DRR-IMP-38dce17f-7
0.280
MAK-UNK-987948f6-3
0.280
MAK-UNK-6ca90168-14
0.280
TAM-UNI-d1c3dd9f-10
0.278
MAK-UNK-7264f48c-5
0.278
DAR-DIA-23aa0b97-1
0.278
DAR-DIA-23aa0b97-11
0.278
DAN-LON-a5fc619e-7
0.278
MAK-UNK-69bf97dd-1
0.277
PAU-WEI-b9b69149-5
0.276
SWA-SYN-d2e6fa14-7
0.276
SWA-SYN-6423ea73-7
0.276
MAK-UNK-6ca90168-20
0.275
MAR-TRE-6a44bbf2-3
0.275
MAK-UNK-e4a48a85-1
0.275