Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCl)C(c3ccccc3)C2)c1 |
MW: | 391.08 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.84 |
cLogP: | 2.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26615801 |
Enamine SCR: | Z363947584 |
Mcule: | MCULE-2986967103 |
MolPort: | MolPort-004-858-294 |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.83065926333165 |
Order Status | |
Ordered: | 2020-08-23 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
Hetero_hetero
TAT-ENA-80bfd3e5-45
1.000
TAT-ENA-80bfd3e5-5
0.542
MAR-LAB-efb042c5-1
0.494
NIM-UNI-13494739-8
0.476
NIM-UNI-13494739-7
0.435
TAT-ENA-80bfd3e5-17
0.435
MED-COV-4280ac29-30
0.433
UNK-UNK-2ede4078-67
0.400
MIH-UNI-e573136b-15
0.379
NIM-UNI-13494739-5
0.376
MAR-LAB-efb042c5-3
0.375
MAR-LAB-efb042c5-4
0.370
NIM-UNI-13494739-2
0.367
UNK-UNK-2ede4078-77
0.367
JOH-MR_-42fa5481-3
0.361
NIM-UNI-13494739-12
0.352
NIM-UNI-13494739-11
0.347
IND-SYN-a2b2ab0e-4
0.345
IND-SYN-5e5c1c3e-4
0.345
DUN-NEW-f8ce3686-22
0.345
MAT-POS-b5746674-92
0.340
MAT-POS-916a2c5a-1
0.337
JOH-MR_-42fa5481-9
0.333
IND-SYN-a2b2ab0e-3
0.333
IND-SYN-5e5c1c3e-3
0.333
NIM-UNI-13494739-10
0.323
NIM-UNI-13494739-9
0.318
JOH-MR_-42fa5481-12
0.317
NAU-LAT-64f4b287-4
0.316
TAT-ENA-80bfd3e5-15
0.314
JOH-MR_-42fa5481-13
0.314
NIM-UNI-13494739-4
0.311
TAT-ENA-80bfd3e5-9
0.311
DAN-LON-a5fc619e-5
0.309
NIM-UNI-13494739-6
0.309
MAK-UNK-df1a028e-7
0.304
JOH-MR_-42fa5481-11
0.304
JOH-MR_-42fa5481-10
0.304
LON-WEI-120e5cf5-2
0.294
WIL-UNI-1faa9b10-2
0.293
SEL-UNI-cd366922-2
0.293
JOE-SYG-2c9a1216-1
0.293
UNK-UNK-2ede4078-58
0.292
MAR-LAB-ff9967db-36
0.287
UNK-UNK-2ede4078-68
0.284
MAR-TRE-799db12b-73
0.284
MAR-TRE-66ac689e-73
0.284
MAR-TRE-6a44bbf2-86
0.284
LON-WEI-120e5cf5-15
0.284
MAK-UNK-6435e6c2-7
0.280
AAR-POS-0daf6b7e-31
0.280
MAK-UNK-5d2caa6f-19
0.280
MAK-UNK-5d2caa6f-20
0.280
KRI-MAR-d2e3ef86-25
0.279
SWA-SYN-40d44a84-2
0.277
MAK-UNK-90d0606b-3
0.273
NIM-UNI-05f93fcc-2
0.271
MIH-UNI-e573136b-10
0.268
MAR-TRE-6a44bbf2-21
0.267
MAK-UNK-7c9d1431-9
0.267
SAD-SAT-29425be4-23
0.267
SAL-INS-1c7a5a55-11
0.267
MAK-UNK-bae89c02-1
0.265
SAL-INS-1c7a5a55-1
0.264
NAU-LAT-f723e322-4
0.261
PEI-IMP-e4a008a2-1
0.261
TAT-ENA-80bfd3e5-18
0.261
LON-WEI-120e5cf5-6
0.259
MAR-TRE-6a44bbf2-28
0.258
MAK-UNK-7c9d1431-23
0.258
AAR-POS-0daf6b7e-14
0.258
NIR-THE-0d6461ce-1
0.258
LON-WEI-120e5cf5-19
0.258
SAD-SAT-29425be4-4
0.257
MAT-POS-2e8b2191-10
0.256
MAK-UNK-ec98eaf6-32
0.255
MED-COV-dea4df70-1
0.255
MAK-UNK-90d0606b-8
0.255
DAN-MCD-68a9aade-1
0.255
DAN-MCD-a37c31cb-1
0.255
DAN-MCD-e5161b06-1
0.255
AHN-SAT-de2502ba-7
0.253
LON-WEI-120e5cf5-5
0.253
WIL-UNI-d4749f31-26
0.252
DAV-CRI-1c77f7a9-6
0.252
NIM-UNI-ed9fc491-3
0.250
MAK-UNK-af83ef51-2
0.250
MAT-POS-90fd5f68-30
0.250
THO-SYG-4e0386bb-1
0.250
SAL-INS-1c7a5a55-5
0.250
MAR-TRE-6a44bbf2-99
0.250
SCO-VAN-260d9628-2
0.250
SEL-UNI-cd366922-9
0.250
GER-FIO-88d97d8c-1
0.248
WAR-XCH-b0339bbe-19
0.248
DAV-CRI-1c77f7a9-7
0.248
MAK-UNK-9159f8ed-6
0.248
MAK-UNK-1e8f9e3c-1
0.248
MAR-TRE-74c6519b-51
0.248
TAM-UNI-d1c3dd9f-22
0.247