Molecular Properties | |
SMILES: | O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 441.06 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 1.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.501455069831554 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-9b81d1fa-1
1.000
DAN-MCD-9950a804-1
0.753
DAN-MCD-1a622181-1
0.753
DAN-MCD-8aee1169-1
0.711
DAN-MCD-52f1549c-1
0.711
DAN-MCD-1c3944e2-1
0.707
DAN-MCD-68a9aade-1
0.679
DAN-MCD-a37c31cb-1
0.679
DAN-MCD-e5161b06-1
0.679
DAN-MCD-f396e45b-1
0.659
DAN-MCD-9cdc9f7f-1
0.659
DAN-MCD-93e7aadc-1
0.628
DAN-MCD-0fb4364c-1
0.621
DAN-MCD-3bfdcef2-1
0.609
DAN-MCD-50d01569-1
0.604
DAN-MCD-c163c0bb-1
0.586
DAN-MCD-7eba3d41-1
0.586
DAN-MCD-5390ac8b-1
0.584
DAN-MCD-cb24a79d-1
0.573
DAN-MCD-0c04f563-1
0.573
DAN-MCD-02570321-1
0.570
DAN-MCD-3ec20f87-1
0.529
DAN-MCD-34fd4f29-1
0.527
DAN-MCD-0742953f-1
0.525
MAT-POS-ee51dedd-2
0.425
DAN-MCD-881986d8-1
0.394
DUN-NEW-f8ce3686-22
0.364
JOE-SYG-2c9a1216-1
0.351
SAD-SAT-29425be4-29
0.347
NAU-LAT-f723e322-5
0.340
MAK-UNK-7c9d1431-24
0.333
DRR-IMP-38dce17f-3
0.333
MAK-UNK-7c9d1431-9
0.333
MAR-TRE-6a44bbf2-21
0.333
SIM-SYN-7db9eb24-1
0.333
MAK-UNK-69bf97dd-1
0.330
AHN-SAT-de2502ba-1
0.323
MAR-TRE-6a44bbf2-28
0.322
MAK-UNK-7c9d1431-23
0.322
MAK-UNK-69bf97dd-9
0.320
DUN-NEW-f8ce3686-25
0.320
SAD-SAT-c989feaa-4
0.319
MAK-UNK-212f693e-13
0.318
SAD-SAT-2fd372d1-2
0.318
MAK-UNK-6435e6c2-11
0.317
MAK-UNK-6435e6c2-10
0.317
MAK-UNK-4c6b313a-1
0.317
SAL-INS-1ea6d4ee-4
0.314
BEN-DND-362d364a-1
0.314
MAK-UNK-af83ef51-2
0.311
MAK-UNK-6ca90168-20
0.310
MAK-UNK-7264f48c-6
0.308
PAU-WEI-c6d65c11-1
0.307
MAK-UNK-212f693e-32
0.307
LON-WEI-8f408cad-7
0.302
MAK-UNK-212f693e-8
0.302
AAR-POS-0daf6b7e-13
0.302
SAD-SAT-bc31ec01-9
0.302
MAK-UNK-987948f6-2
0.301
MAK-UNK-7264f48c-2
0.301
PEI-IMP-ca0b2813-1
0.300
MAK-UNK-10dfa458-18
0.299
YOI-UNK-a533afbc-4
0.298
YOI-UNK-12211982-4
0.298
BEN-DND-03406596-1
0.298
DRR-IMP-db50bf6e-4
0.298
BEN-DND-76ad4ac9-9
0.298
BEN-DND-362d364a-5
0.297
ANT-DIA-045cfdc4-5
0.297
MAK-UNK-10dfa458-46
0.295
DRR-IMP-dff87f5e-2
0.295
MAK-UNK-7c9d1431-3
0.295
DAN-LON-a5fc619e-7
0.294
GIA-UNK-20b63697-1
0.293
PEI-IMP-e4a008a2-1
0.293
MAK-UNK-69bf97dd-8
0.291
MAK-UNK-10dfa458-39
0.290
GIA-UNK-20b63697-9
0.290
MAR-SOS-c7881798-9
0.290
NIM-UNI-ed9fc491-3
0.290
MAR-SOS-82e3a7c7-9
0.290
MAT-POS-b5746674-51
0.290
GIA-UNK-20b63697-7
0.289
MAK-UNK-15efde89-1
0.289
AHN-SAT-de2502ba-7
0.287
MAR-TRE-6a44bbf2-9
0.287
SAL-INS-1ea6d4ee-3
0.287
DRR-IMP-dff87f5e-5
0.286
MAR-TRE-6a44bbf2-8
0.286
AAR-POS-d2a4d1df-34
0.286
MAK-UNK-7c9d1431-27
0.286
GIA-UNK-3f36037a-6
0.286
MAK-UNK-69bf97dd-7
0.286
MAC-MCD-76766525-1
0.285
LON-WEI-120e5cf5-14
0.284
SAL-INS-1c7a5a55-11
0.284
NIM-UNI-43fe0159-8
0.284
SEL-UNI-cd366922-2
0.284
MAR-SOS-82e3a7c7-7
0.283
MAR-SOS-c7881798-8
0.283