Molecular Properties | |
SMILES: | O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1 |
MW: | 517.09 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 86.79 |
cLogP: | 3.09 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.635420325741637 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-f396e45b-1
1.000
DAN-MCD-e5161b06-1
0.671
DAN-MCD-a37c31cb-1
0.671
DAN-MCD-68a9aade-1
0.671
DAN-MCD-9b81d1fa-1
0.659
DAN-MCD-b3a5626f-1
0.659
DAN-MCD-8aee1169-1
0.625
DAN-MCD-1a622181-1
0.625
DAN-MCD-9950a804-1
0.625
DAN-MCD-52f1549c-1
0.625
DAN-MCD-0fb4364c-1
0.596
DAN-MCD-3bfdcef2-1
0.584
DAN-MCD-0c04f563-1
0.584
DAN-MCD-50d01569-1
0.581
DAN-MCD-c163c0bb-1
0.580
DAN-MCD-7eba3d41-1
0.580
DAN-MCD-cb24a79d-1
0.567
DAN-MCD-93e7aadc-1
0.567
DAN-MCD-02570321-1
0.547
DAN-MCD-3ec20f87-1
0.540
DAN-MCD-0742953f-1
0.520
DAN-MCD-1c3944e2-1
0.454
DAN-MCD-34fd4f29-1
0.430
MAT-POS-ee51dedd-2
0.420
DAN-MCD-881986d8-1
0.390
DAN-MCD-5390ac8b-1
0.379
DUN-NEW-f8ce3686-22
0.344
JOE-SYG-2c9a1216-1
0.333
MAK-UNK-7c9d1431-9
0.329
MAR-TRE-6a44bbf2-21
0.329
MAK-UNK-6435e6c2-10
0.329
MAK-UNK-6435e6c2-11
0.329
MAK-UNK-4c6b313a-1
0.329
SEL-UNI-cd366922-2
0.323
MAK-UNK-10dfa458-46
0.322
MAK-UNK-7264f48c-6
0.317
SAD-SAT-bc31ec01-9
0.314
SAL-INS-1ea6d4ee-4
0.311
MAK-UNK-7264f48c-2
0.311
MAK-UNK-10dfa458-18
0.310
SIM-SYN-f15aaa3a-1
0.306
GIA-UNK-20b63697-1
0.304
GIA-UNK-c4371e97-2
0.303
SEL-UNI-cd366922-5
0.301
MAK-UNK-212f693e-13
0.300
GIA-UNK-20b63697-9
0.300
GIA-UNK-20b63697-7
0.300
NIM-UNI-ed9fc491-3
0.299
GIA-UNK-7337c2f3-3
0.298
PEI-IMP-ca0b2813-1
0.297
MAK-UNK-6ca90168-11
0.295
YOI-UNK-a533afbc-4
0.295
YOI-UNK-12211982-4
0.295
MAK-UNK-7264f48c-5
0.291
MAK-UNK-6ca90168-20
0.291
PEI-IMP-e4a008a2-1
0.290
MAK-UNK-7264f48c-3
0.290
MAR-TRE-6a44bbf2-92
0.289
SAD-SAT-c989feaa-4
0.289
GIA-UNK-20b63697-2
0.289
GIA-UNK-20b63697-8
0.286
SAL-INS-1ea6d4ee-3
0.284
MAK-UNK-7264f48c-1
0.284
GIA-UNK-20b63697-6
0.284
GIA-UNK-4de5abb1-1
0.284
NIM-UNI-ed9fc491-4
0.283
MAK-UNK-7c9d1431-27
0.283
MAK-UNK-987948f6-2
0.282
DAR-DIA-3e9bbd81-12
0.281
DRR-IMP-db50bf6e-4
0.281
GIA-UNK-7337c2f3-2
0.281
YOI-UNK-a533afbc-6
0.280
YOI-UNK-12211982-6
0.280
DAN-LON-a5fc619e-7
0.279
PAU-WEI-c6d65c11-1
0.279
SIM-SYN-7db9eb24-1
0.279
DRR-IMP-dff87f5e-2
0.278
MAK-UNK-7c9d1431-3
0.278
AHN-SAT-de2502ba-1
0.278
GIA-UNK-7337c2f3-9
0.278
MAR-TRE-6a44bbf2-52
0.278
MAK-UNK-212f693e-9
0.278
LON-WEI-8f408cad-3
0.278
AAR-POS-d2a4d1df-22
0.278
GIA-UNK-7337c2f3-15
0.277
MAK-UNK-212f693e-11
0.277
GIA-UNK-7337c2f3-1
0.277
GIA-UNK-20b63697-4
0.276
GIA-UNK-20b63697-5
0.276
GIA-UNK-20b63697-3
0.276
MAK-UNK-e4a48a85-1
0.276
BEN-DND-362d364a-1
0.275
MAK-UNK-7c9d1431-12
0.275
MAK-UNK-212f693e-32
0.275
MAK-UNK-e4a48a85-2
0.275
GIA-UNK-7337c2f3-4
0.274
GIA-UNK-7337c2f3-7
0.274
NAU-LAT-f723e322-5
0.274
NIM-UNI-05f93fcc-2
0.273
MAC-MCD-76766525-1
0.273