Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)[C@H](C(=O)N2CCOCC2)C1 |
MW: | 421.05 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 87.23 |
cLogP: | 0.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.88246175066059 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
MAT-POS-ee51dedd-2
DAN-MCD-cb24a79d-1
0.684
DAN-MCD-7eba3d41-1
0.560
DAN-MCD-a37c31cb-1
0.554
DAN-MCD-68a9aade-1
0.554
DAN-MCD-e5161b06-1
0.554
DAN-MCD-3bfdcef2-1
0.547
DAN-MCD-93e7aadc-1
0.547
DAN-MCD-c163c0bb-1
0.541
DAN-MCD-f396e45b-1
0.540
DAN-MCD-9cdc9f7f-1
0.540
DAN-MCD-0c04f563-1
0.529
DAN-MCD-9b81d1fa-1
0.529
DAN-MCD-b3a5626f-1
0.529
DAN-MCD-0fb4364c-1
0.523
DAN-MCD-1a622181-1
0.517
DAN-MCD-8aee1169-1
0.517
DAN-MCD-9950a804-1
0.517
DAN-MCD-52f1549c-1
0.517
DAN-MCD-02570321-1
0.495
DAN-MCD-50d01569-1
0.495
DAN-MCD-0742953f-1
0.469
MAT-POS-ee51dedd-2
0.446
DAN-MCD-881986d8-1
0.365
MAK-UNK-6435e6c2-11
0.347
MAK-UNK-6435e6c2-10
0.347
MAK-UNK-4c6b313a-1
0.347
DAN-MCD-1c3944e2-1
0.343
MAK-UNK-10dfa458-46
0.338
DAN-MCD-34fd4f29-1
0.337
MAK-UNK-7264f48c-6
0.330
MAK-UNK-212f693e-13
0.329
SAD-SAT-bc31ec01-9
0.329
MAK-UNK-f983951f-21
0.328
MAK-UNK-10dfa458-18
0.325
MAK-UNK-6ca90168-20
0.321
DUN-NEW-f8ce3686-22
0.314
MAK-UNK-7264f48c-3
0.313
LON-WEI-8f408cad-7
0.312
AAR-POS-0daf6b7e-13
0.312
MAK-UNK-212f693e-8
0.312
SAL-INS-1ea6d4ee-4
0.310
MAK-UNK-7264f48c-2
0.309
AHN-SAT-de2502ba-16
0.307
MAK-UNK-212f693e-11
0.302
MAK-UNK-7264f48c-5
0.302
SAD-SAT-9a6c5cf3-1
0.302
MAK-UNK-212f693e-32
0.301
MAK-UNK-69bf97dd-3
0.300
GIA-UNK-eaadd1d4-3
0.299
GIA-UNK-d2defdc3-6
0.299
NIM-UNI-310206f0-70
0.296
MAK-UNK-7264f48c-1
0.295
PEI-IMP-ca0b2813-1
0.294
MAK-UNK-7264f48c-4
0.293
JOE-SYG-2c9a1216-1
0.292
MAK-UNK-212f693e-9
0.289
MAR-TRE-dab8f6ea-31
0.289
DAN-MCD-5390ac8b-1
0.288
MAK-UNK-e4a48a85-1
0.286
SAD-SAT-6b5a89f0-2
0.286
MAK-UNK-e4a48a85-2
0.284
MAR-TRE-6a44bbf2-38
0.283
MAK-UNK-7c9d1431-1
0.283
MAK-UNK-212f693e-10
0.282
SAL-INS-1ea6d4ee-3
0.282
MAK-UNK-e4a48a85-20
0.281
HAR-NEW-e34cb1ae-5
0.280
MAK-UNK-7c9d1431-17
0.279
MAK-UNK-e4a48a85-21
0.278
STU-CHA-6cae54d3-1
0.277
MAR-TRE-6a44bbf2-36
0.277
MAK-UNK-7c9d1431-2
0.277
SAD-SAT-f2e2579e-7
0.276
MAR-TRE-6a44bbf2-32
0.276
AAR-POS-d2a4d1df-33
0.276
MAR-TRE-6a44bbf2-39
0.276
ABB-MCD-f8003a30-1
0.276
PAU-WEI-c6d65c11-1
0.276
MAR-TRE-dab8f6ea-47
0.276
TAM-UNI-d1c3dd9f-12
0.276
NIR-THE-99f25457-2
0.276
AHN-SAT-de2502ba-9
0.275
DAN-LON-a5fc619e-1
0.275
MAK-UNK-e4a48a85-23
0.275
MAK-UNK-e4a48a85-24
0.275
SAD-SAT-c989feaa-9
0.275
PEI-IMP-ca0b2813-2
0.274
AAR-POS-d2a4d1df-22
0.274
SAD-SAT-3a925b8b-2
0.274
MAR-TRE-6a44bbf2-52
0.274
LON-WEI-8f408cad-3
0.274
STU-CHA-6d5cfe2b-1
0.272
MAK-UNK-69bf97dd-5
0.272
MAK-UNK-69bf97dd-6
0.272
DRR-IMP-38dce17f-6
0.272
MAR-TRE-dab8f6ea-45
0.271
MAK-UNK-7c9d1431-13
0.271
MAR-TRE-6a44bbf2-78
0.271
SAD-SAT-3a925b8b-3
0.271
JIA-UNI-93b03cae-1
0.271