Molecular Properties | |
SMILES: | Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 358.08 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 96.85 |
cLogP: | 2.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-11023 |
Enamine SCR: | Z57032523 |
Mcule: | MCULE-6670601723 |
MolPort: | MolPort-002-467-517 |
Activity Data | |
IC50 (µM) - Fluorescence: | 6.05320330927433 |
Order Status | |
Ordered: | 2020-08-23 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
MAT-POS-fa06b69f-9
1.000
DAR-DIA-bd041b9b-23
0.658
DAR-DIA-bd041b9b-2
0.618
DAR-DIA-bd041b9b-6
0.519
DAR-DIA-bd041b9b-32
0.510
DAR-DIA-bd041b9b-7
0.509
DAR-DIA-bd041b9b-24
0.448
DAR-DIA-bd041b9b-33
0.425
DAR-DIA-bd041b9b-5
0.422
DAR-DIA-bd041b9b-34
0.417
DAR-DIA-bd041b9b-27
0.412
DAR-DIA-bd041b9b-3
0.408
UNK-UNK-2ede4078-63
0.407
UNK-UNK-2ede4078-28
0.402
UNK-UNK-2ede4078-1
0.391
DAR-DIA-bd041b9b-8
0.361
UNK-UNK-2ede4078-88
0.361
DAR-DIA-bd041b9b-9
0.355
UNK-UNK-2ede4078-92
0.347
UNK-UNK-2ede4078-31
0.344
DAR-DIA-bd041b9b-4
0.339
UNK-UNK-2ede4078-10
0.301
DAR-DIA-bd041b9b-15
0.297
DAR-DIA-bd041b9b-12
0.281
MAT-POS-fa06b69f-4
0.273
TAT-ENA-80bfd3e5-24
0.273
TAT-ENA-80bfd3e5-32
0.273
DAR-DIA-bd041b9b-14
0.269
UNK-UNK-2ede4078-62
0.262
UNK-UNK-2ede4078-33
0.257
UNK-UNK-2ede4078-21
0.255
DAR-DIA-bd041b9b-13
0.254
TAT-ENA-80bfd3e5-27
0.252
UNK-UNK-2ede4078-70
0.245
DAR-DIA-bd041b9b-16
0.241
UNK-UNK-2ede4078-83
0.236
MAK-UNK-e4a48a85-27
0.230
DAR-DIA-bd041b9b-25
0.229
MAR-TRE-c8530538-97
0.227
MAR-TRE-4f781e27-96
0.224
NIM-UNI-0ea3b7bf-3
0.223
DAR-DIA-bd041b9b-28
0.223
JOH-UNI-6fede743-3
0.222
JIN-POS-6dc588a4-19
0.222
MAR-TRE-6c5ef77a-93
0.222
MAT-POS-bb423b95-6
0.222
DAR-DIA-bd041b9b-18
0.221
MAR-TRE-c8530538-16
0.218
JIN-POS-6dc588a4-24
0.216
MAR-TRE-aca67d11-48
0.216
DAR-DIA-8e329c92-1
0.215
ALP-POS-02c6a514-48
0.214
DAR-DIA-bd041b9b-17
0.214
RAL-THA-2d450e86-8
0.214
DAR-DIA-fb20be43-6
0.214
EDJ-MED-fa7708b3-3
0.213
LON-WEI-120e5cf5-14
0.212
MAT-POS-b5746674-47
0.211
MAK-UNK-1e8f9e3c-4
0.211
NAU-LAT-a5c7d7cb-10
0.210
EDJ-MED-c8e7a002-11
0.210
AAR-POS-d2a4d1df-41
0.208
TAT-ENA-80bfd3e5-20
0.208
MAR-TRE-8190bb11-63
0.208
LON-WEI-5e7d1b3e-9
0.208
LON-WEI-4d77710c-9
0.208
JAG-UCB-52b62a6f-6
0.207
SAD-SAT-5b1897b2-2
0.207
DAR-DIA-ecdbc7dd-2
0.206
EDJ-MED-2791eece-9
0.206
MAR-TRE-6a44bbf2-23
0.206
MAR-TRE-c8530538-45
0.206
STE-KUL-2e0d2e88-2
0.206
MAT-POS-2492181e-2
0.206
UNK-UNK-2ede4078-96
0.206
MAR-TRE-799db12b-6
0.206
MAR-TRE-c8530538-87
0.206
ERI-UCB-ce40166b-25
0.205
DAR-DIA-9f765dc6-7
0.205
DAR-DIA-9f765dc6-8
0.205
DAR-DIA-9f765dc6-9
0.205
BEN-BAS-43e7cce2-1
0.205
YOI-UNK-a533afbc-4
0.204
YOI-UNK-12211982-4
0.204
MAT-POS-b5746674-131
0.204
MAK-UNK-3e0761f8-3
0.204
MAR-TRE-c8530538-10
0.203
ALP-POS-a0a4abd7-5
0.203
RED-RED-10c9212c-27
0.202
MAK-UNK-af83ef51-23
0.202
ALP-UNI-0676e700-26
0.201
ALP-UNI-0676e700-1
0.201
NIR-THE-0d6461ce-6
0.200
EDG-MED-0da5ad92-13
0.200
MAT-POS-fa06b69f-3
0.200
EDG-MED-90036822-79
0.200
DAR-DIA-ecdbc7dd-13
0.200
TAT-ENA-80bfd3e5-4
0.200
MAR-TRE-c8530538-53
0.200
WIL-UNI-d4749f31-37
0.200