Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 427.04 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 86.79 |
cLogP: | 1.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.71635749050882 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-e5161b06-1
1.000
DAN-MCD-a37c31cb-1
1.000
DAN-MCD-c163c0bb-1
0.763
DAN-MCD-0c04f563-1
0.744
DAN-MCD-0fb4364c-1
0.691
DAN-MCD-02570321-1
0.690
DAN-MCD-50d01569-1
0.690
DAN-MCD-1a622181-1
0.683
DAN-MCD-9950a804-1
0.683
DAN-MCD-9b81d1fa-1
0.679
DAN-MCD-b3a5626f-1
0.679
DAN-MCD-3bfdcef2-1
0.679
DAN-MCD-f396e45b-1
0.671
DAN-MCD-9cdc9f7f-1
0.671
DAN-MCD-0742953f-1
0.652
DAN-MCD-52f1549c-1
0.624
DAN-MCD-8aee1169-1
0.624
DAN-MCD-7eba3d41-1
0.614
DAN-MCD-93e7aadc-1
0.600
DAN-MCD-cb24a79d-1
0.581
DAN-MCD-3ec20f87-1
0.554
DAN-MCD-34fd4f29-1
0.468
DAN-MCD-1c3944e2-1
0.462
MAT-POS-ee51dedd-2
0.429
DAN-MCD-881986d8-1
0.411
LON-WEI-120e5cf5-15
0.400
MAR-TRE-6a44bbf2-86
0.400
AHN-SAT-de2502ba-7
0.385
DAN-MCD-5390ac8b-1
0.384
DUN-NEW-f8ce3686-22
0.381
SAL-INS-1ea6d4ee-4
0.367
MAK-UNK-5d2caa6f-20
0.356
MAK-UNK-7264f48c-2
0.354
JOE-SYG-2c9a1216-1
0.351
SAL-INS-1ea6d4ee-3
0.337
MAC-MCD-76766525-1
0.336
MAK-UNK-6435e6c2-10
0.333
MAK-UNK-6435e6c2-11
0.333
SAD-SAT-bc31ec01-9
0.333
MAK-UNK-212f693e-13
0.333
MAR-TRE-6a44bbf2-21
0.333
MAK-UNK-7c9d1431-9
0.333
MAK-UNK-4c6b313a-1
0.333
MAK-UNK-10dfa458-18
0.329
JAG-SYN-9c2cd0bd-8
0.326
JAG-SYN-9c2cd0bd-9
0.321
JAG-SYN-9c2cd0bd-3
0.318
MAK-UNK-10dfa458-46
0.310
MAK-UNK-6ca90168-20
0.309
MAK-UNK-7264f48c-6
0.307
PEI-IMP-e4a008a2-1
0.307
MAK-UNK-e4a48a85-1
0.304
MAK-UNK-7264f48c-3
0.304
LON-WEI-120e5cf5-19
0.301
BEN-DND-362d364a-1
0.301
MAK-UNK-987948f6-2
0.300
JAG-SYN-9c2cd0bd-6
0.300
JAG-SYN-9c2cd0bd-5
0.300
MAK-UNK-7264f48c-1
0.299
PEI-IMP-ca0b2813-1
0.299
YOI-UNK-12211982-4
0.297
YOI-UNK-a533afbc-4
0.297
MAK-UNK-af83ef51-2
0.295
MAK-UNK-212f693e-9
0.294
AHN-SAT-de2502ba-1
0.293
MAR-TRE-3e4e6814-23
0.293
MAK-UNK-7264f48c-5
0.293
SIM-SYN-a98e6a07-1
0.292
JAG-SYN-9c2cd0bd-4
0.291
JAG-SYN-9c2cd0bd-14
0.291
MAK-UNK-212f693e-32
0.291
SAD-SAT-c989feaa-4
0.290
SAD-SAT-2fd372d1-8
0.289
LON-WEI-120e5cf5-12
0.289
MAK-UNK-e4a48a85-2
0.289
SAD-SAT-6b5a89f0-8
0.288
LON-WEI-8f408cad-7
0.286
AAR-POS-0daf6b7e-13
0.286
MAK-UNK-212f693e-8
0.286
BEN-DND-362d364a-5
0.284
MAK-UNK-7264f48c-4
0.284
MED-COV-dea4df70-1
0.284
MAK-UNK-7c9d1431-27
0.284
LON-WEI-120e5cf5-20
0.284
DRR-IMP-38dce17f-3
0.284
MAK-UNK-7c9d1431-24
0.284
AAR-POS-0daf6b7e-44
0.284
SAL-INS-1c7a5a55-11
0.283
LON-WEI-120e5cf5-14
0.283
BEN-DND-031a96cc-3
0.283
BEN-DND-031a96cc-5
0.283
LON-WEI-120e5cf5-11
0.283
BEN-DND-031a96cc-1
0.282
TAT-ENA-80bfd3e5-10
0.281
JAG-SYN-9c2cd0bd-7
0.281
DAN-LON-a5fc619e-7
0.280
PAU-WEI-c6d65c11-1
0.280
LON-WEI-8f408cad-3
0.279
AAR-POS-d2a4d1df-22
0.279
MAR-TRE-6a44bbf2-52
0.279