Molecular Properties | |
SMILES: | O=C(NCc1ccc2c(c1)OCO2)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl |
MW: | 445.05 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 107.48 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5051485341 |
MolPort: | MolPort-000-523-354 |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.39702780099354 |
IC50 (µM) - RapidFire: | 0.509154628209789 |
Order Status | |
Shipped: | 2020-11-17 |
Activated haloaromatics
LON-WEI-5e7d1b3e-10
1.000
AAR-POS-d2a4d1df-31
0.434
JOH-UNI-e19b918c-4
0.412
MAR-TRE-92684b97-22
0.408
MAR-TRE-fd17a9b8-13
0.396
MAR-TRE-fd17a9b8-77
0.379
MAR-TRE-f5c2d31c-59
0.376
DAV-UNK-07f953a2-3
0.363
MAR-TRE-a3327163-47
0.347
MAR-TRE-fd17a9b8-7
0.347
MAR-TRE-fd17a9b8-44
0.346
MAR-TRE-d0525fbf-52
0.345
MAR-TRE-d0525fbf-39
0.342
LON-WEI-4d77710c-55
0.339
LON-WEI-5e7d1b3e-55
0.339
LON-WEI-ff7b210a-4
0.333
YUN-WES-58b0dbae-6
0.331
YUN-WES-85ecc354-1
0.331
MAR-TRE-d0525fbf-80
0.330
MAR-TRE-8190bb11-17
0.327
MAR-TRE-e86a56b5-54
0.326
MAR-TRE-0fda4e82-9
0.323
MAR-TRE-04c86cea-61
0.321
MAK-UNK-7c9d1431-14
0.319
ARI-TAT-5792557e-1
0.297
MAR-TRE-b77b7921-64
0.293
MAR-TRE-e86a56b5-72
0.292
SAD-SAT-2ceae68f-8
0.292
JOH-IMS-0f19a540-10
0.291
MAR-TRE-aca67d11-9
0.290
MAR-TRE-36bf7dba-42
0.288
MAR-TRE-b77b7921-56
0.288
MAR-LAB-ff9967db-28
0.287
MAR-TRE-b77b7921-94
0.282
MAR-TRE-8a25d817-17
0.280
ROD-UFR-74bef589-1
0.279
ROD-UFR-86d8d6a3-1
0.279
ROD-UFR-d767f115-1
0.277
MAR-TRE-e86a56b5-4
0.277
MAR-TRE-9d18ae8c-52
0.276
JOH-UNI-e19b918c-9
0.275
MAR-TRE-d0525fbf-57
0.273
MAR-TRE-d0525fbf-19
0.272
MAR-TRE-b77b7921-38
0.271
MAR-TRE-b77b7921-79
0.271
MAR-TRE-e86a56b5-44
0.270
AAR-UNI-c25c2f1e-65
0.270
MAR-TRE-e86a56b5-96
0.268
MAR-TRE-d0525fbf-40
0.267
MAR-TRE-e86a56b5-78
0.266
MAR-TRE-e86a56b5-95
0.266
MAR-TRE-d3c2bf0e-27
0.266
JOH-UNI-e19b918c-8
0.266
MAR-TRE-d0525fbf-13
0.264
MAR-TRE-04c86cea-28
0.263
MAR-TRE-14ce9fd6-23
0.262
MAR-TRE-3e4e6814-38
0.262
JAR-KUA-8c13982c-12
0.261
MAR-TRE-b77b7921-12
0.261
MAR-TRE-04c86cea-37
0.261
MAR-TRE-dab8f6ea-22
0.260
JON-UNI-93996c9d-5
0.260
MAR-TRE-b77b7921-14
0.259
MAT-POS-b5746674-52
0.258
MAR-TRE-74c6519b-22
0.258
MAR-TRE-fd17a9b8-38
0.257
MAR-TRE-66ac689e-12
0.257
JON-UNI-93996c9d-3
0.257
MAR-TRE-e86a56b5-80
0.257
MAR-TRE-f6f5f473-32
0.256
MAR-TRE-9d18ae8c-18
0.255
MAR-TRE-4f781e27-53
0.255
ROD-LAS-d5538ff9-5
0.254
MAR-TRE-2fd8122f-71
0.254
MAR-TRE-a9136c7b-71
0.252
MAT-POS-b5746674-30
0.252
MAR-TRE-04c86cea-98
0.250
MAR-TRE-a3327163-38
0.250
KOV-VNK-5e1a909f-5
0.250
AAR-POS-fca48359-13
0.248
FAR-UNI-9a76d7b5-3
0.248
MAR-TRE-b77b7921-37
0.248
ROD-UFR-93b30032-1
0.248
MAR-TRE-799db12b-16
0.248
MAR-TRE-92684b97-6
0.245
JOH-IMS-7e73aedd-1
0.245
MAR-TRE-9d18ae8c-66
0.243
AAR-UNI-c25c2f1e-35
0.243
IAN-BAS-647c7407-1
0.242
TAT-ENA-80bfd3e5-35
0.241
MIC-UNK-5d22d78d-3
0.240
LON-WEI-ff7b210a-1
0.239
BRU-UNI-248b30bc-44
0.238
MAR-TRE-66ac689e-43
0.238
DAR-DIA-6a49afbe-9
0.238
SAD-SAT-2fd372d1-2
0.237
NJA-MAN-b9fb953f-2
0.236
ROD-UFR-87309d29-1
0.236
MAT-POS-b5746674-88
0.236
JOH-IMS-0f19a540-3
0.236