Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C[C@H]2C(=O)NC2CCCCC2)cc1 |
MW: | 441.15 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 86.79 |
cLogP: | 1.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.48325730997867 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-7eba3d41-1
0.700
DAN-MCD-1c3944e2-1
0.586
DAN-MCD-34fd4f29-1
0.573
DAN-MCD-93e7aadc-1
0.468
DAN-MCD-3bfdcef2-1
0.423
DAN-MCD-0c04f563-1
0.423
MAR-TRE-6a44bbf2-68
0.418
AAR-POS-d2a4d1df-27
0.418
MAR-LAB-efb042c5-5
0.418
DAN-MCD-c163c0bb-1
0.417
DAN-MCD-a37c31cb-1
0.411
DAN-MCD-68a9aade-1
0.411
DAN-MCD-e5161b06-1
0.411
WAR-XCH-79d12f6e-4
0.410
DAN-MCD-0fb4364c-1
0.404
DAN-MCD-8aee1169-1
0.400
DAN-MCD-52f1549c-1
0.400
DAN-MCD-9b81d1fa-1
0.394
DAN-MCD-b3a5626f-1
0.394
DAN-MCD-0742953f-1
0.393
DAN-MCD-f396e45b-1
0.390
DAN-MCD-9cdc9f7f-1
0.390
MAK-UNK-3f402c2b-5
0.388
DAN-MCD-1a622181-1
0.386
DAN-MCD-9950a804-1
0.386
DAN-MCD-50d01569-1
0.385
SAD-SAT-9a6c5cf3-2
0.375
DAN-MCD-02570321-1
0.371
DAN-MCD-3ec20f87-1
0.365
DAN-MCD-cb24a79d-1
0.327
CLI-TLC-0b41e95c-1
0.327
DAN-MCD-5390ac8b-1
0.324
MAK-UNK-df1a028e-5
0.323
MAK-UNK-c97f7c8f-1
0.322
SAL-INS-1ea6d4ee-4
0.320
AAR-POS-d2a4d1df-25
0.317
AHN-SAT-de2502ba-8
0.317
SAD-SAT-9a6c5cf3-9
0.317
MAR-TRE-2fd8122f-6
0.317
MAK-UNK-7c9d1431-22
0.311
DUN-NEW-f8ce3686-22
0.311
MAK-UNK-009ebe36-3
0.310
JAR-KUA-41bd5a3d-9
0.309
SAD-SAT-581007d4-4
0.308
MAK-UNK-c74072e5-8
0.307
MAK-UNK-7c9d1431-17
0.307
DRR-IMP-11d47bff-1
0.305
BAP-BUY-55f8bcae-1
0.304
NIR-THE-0d6461ce-5
0.303
MAK-UNK-69bf97dd-9
0.300
MAK-UNK-7c9d1431-13
0.299
MAR-TRE-6a44bbf2-78
0.299
NIM-UNI-05f93fcc-11
0.298
SIM-SYN-3099a863-1
0.297
CLI-TLC-0925f3e9-1
0.297
MAK-UNK-3d7e3904-1
0.295
MAR-TRE-f6f5f473-23
0.294
MAR-TRE-6a44bbf2-21
0.294
MAK-UNK-7c9d1431-9
0.294
CLI-TLC-6e8ddb09-1
0.294
NIM-UNI-310206f0-18
0.292
GIA-UNK-a79af1bc-1
0.292
MAK-UNK-7c9d1431-6
0.292
MAR-TRE-6a44bbf2-26
0.292
MAK-UNK-7c9d1431-8
0.292
MAR-TRE-6a44bbf2-12
0.292
SAD-SAT-65574d3f-4
0.291
MAR-TRE-6a44bbf2-48
0.291
AAR-POS-d2a4d1df-44
0.291
DRR-IMP-dff87f5e-3
0.291
JOE-SYG-2c9a1216-1
0.290
MAK-UNK-69bf97dd-10
0.290
DAV-UNK-07f953a2-2
0.289
ABB-MCD-f8003a30-1
0.289
MAR-TRE-6a44bbf2-32
0.289
MAK-UNK-7c9d1431-21
0.289
DRR-IMP-dff87f5e-1
0.287
MAR-TRE-6a44bbf2-58
0.287
PEI-IMP-ca0b2813-2
0.287
DRR-IMP-dff87f5e-7
0.287
KAY-MCD-d0fe5261-1
0.287
AAR-POS-0daf6b7e-3
0.286
MAK-UNK-69bf97dd-1
0.286
AAR-POS-d2a4d1df-36
0.286
RHE-UNK-eb059eb9-1
0.286
SAD-SAT-f2e2579e-5
0.286
MAR-TRE-6a44bbf2-13
0.286
SAD-SAT-c989feaa-9
0.286
DAV-UNK-07f953a2-1
0.286
WAR-XCH-79d12f6e-6
0.286
MAK-UNK-69bf97dd-2
0.284
LON-WEI-120e5cf5-13
0.284
NIM-UNI-310206f0-56
0.283
NIR-THE-0d6461ce-1
0.283
SAD-SAT-edc8a235-1
0.280
SAD-SAT-9a6c5cf3-5
0.280
MAK-UNK-7c9d1431-19
0.280
BEN-DND-03406596-8
0.280
GIA-UNK-20b63697-6
0.280
DAR-DIA-03336633-12
0.279