Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 |
MW: | 496.1 |
Fraction sp3: | 0.43 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 81.24 |
cLogP: | 1.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.97888729206114 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-ee51dedd-2
DAN-MCD-3ec20f87-1
0.684
DAN-MCD-68a9aade-1
0.581
DAN-MCD-a37c31cb-1
0.581
DAN-MCD-e5161b06-1
0.581
DAN-MCD-9b81d1fa-1
0.573
DAN-MCD-b3a5626f-1
0.573
DAN-MCD-f396e45b-1
0.567
DAN-MCD-9cdc9f7f-1
0.567
DAN-MCD-9950a804-1
0.543
DAN-MCD-1a622181-1
0.543
DAN-MCD-3bfdcef2-1
0.522
DAN-MCD-93e7aadc-1
0.522
DAN-MCD-c163c0bb-1
0.516
DAN-MCD-0fb4364c-1
0.516
DAN-MCD-8aee1169-1
0.511
DAN-MCD-52f1549c-1
0.511
DAN-MCD-0c04f563-1
0.505
DAN-MCD-50d01569-1
0.505
DAN-MCD-7eba3d41-1
0.500
DAN-MCD-02570321-1
0.475
DAN-MCD-0742953f-1
0.452
MAT-POS-ee51dedd-2
0.407
DAN-MCD-1c3944e2-1
0.386
DAN-MCD-34fd4f29-1
0.365
DUN-NEW-f8ce3686-22
0.348
DAN-MCD-5390ac8b-1
0.330
DAN-MCD-881986d8-1
0.327
JOE-SYG-2c9a1216-1
0.323
MAK-UNK-6435e6c2-10
0.317
MAK-UNK-4c6b313a-1
0.317
MAK-UNK-6435e6c2-11
0.317
SAL-INS-1ea6d4ee-4
0.314
SEL-UNI-8426c22c-4
0.312
MAK-UNK-10dfa458-46
0.310
MAK-UNK-212f693e-13
0.303
MAR-TRE-6a44bbf2-21
0.302
MAK-UNK-7c9d1431-9
0.302
SAD-SAT-bc31ec01-9
0.302
AAR-POS-0daf6b7e-18
0.302
MAK-UNK-7264f48c-2
0.301
MAK-UNK-10dfa458-18
0.299
MAT-POS-162a9720-4
0.298
MAK-UNK-7264f48c-6
0.295
MAK-UNK-6ca90168-20
0.294
PAU-WEI-c6d65c11-1
0.294
PEI-IMP-e4a008a2-1
0.293
MAK-UNK-212f693e-32
0.292
SAD-SAT-c989feaa-4
0.292
MAR-UCB-f313ec4d-6
0.292
SAD-SAT-65574d3f-9
0.287
MAK-UNK-212f693e-8
0.287
AAR-POS-0daf6b7e-13
0.287
LON-WEI-8f408cad-7
0.287
SAL-INS-1ea6d4ee-3
0.287
MAK-UNK-987948f6-2
0.286
MAK-UNK-7c9d1431-24
0.286
PEI-IMP-ca0b2813-1
0.286
YOI-UNK-a533afbc-4
0.286
DRR-IMP-38dce17f-3
0.286
YOI-UNK-12211982-4
0.286
SAD-SAT-5b1897b2-4
0.284
MAT-POS-162a9720-5
0.284
NIL-NON-a189c016-1
0.283
MAT-POS-162a9720-2
0.283
MAR-TRE-b77b7921-69
0.282
MAK-UNK-7264f48c-5
0.282
MAK-UNK-7264f48c-3
0.280
MAT-POS-ea426761-76
0.277
YOI-UNK-090ea88a-1
0.275
MAK-UNK-7264f48c-1
0.275
AHN-SAT-de2502ba-7
0.273
DUN-NEW-f8ce3686-3
0.273
SAL-INS-1c7a5a55-11
0.272
TRI-UNI-97428359-1
0.272
MAK-UNK-987948f6-15
0.272
MAK-UNK-7c9d1431-27
0.272
BRU-UNI-418e22dc-7
0.269
ABB-MCD-f8003a30-1
0.269
MAR-TRE-6a44bbf2-32
0.269
DAN-LON-a5fc619e-1
0.268
AHN-SAT-de2502ba-1
0.268
DUN-NEW-f8ce3686-25
0.267
AAR-POS-d2a4d1df-22
0.267
MAK-UNK-212f693e-9
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LON-WEI-8f408cad-3
0.267
MAR-TRE-6a44bbf2-52
0.267
MAK-UNK-bdda130a-7
0.266
BEN-DND-362d364a-1
0.266
BEN-DND-76ad4ac9-7
0.266
MAK-UNK-212f693e-11
0.266
MAK-UNK-e4a48a85-1
0.265
MAC-MCD-76766525-1
0.265
MAK-UNK-e4a48a85-2
0.265
LON-WEI-120e5cf5-12
0.265
SAD-SAT-f2e2579e-6
0.264
MAR-TRE-6a44bbf2-28
0.264
MAK-UNK-7c9d1431-23
0.264
JIA-UNI-93b03cae-1
0.264
MAK-UNK-bdda130a-3
0.264
BEN-DND-362d364a-5
0.263