Molecular Properties | |
SMILES: | C=CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC)c1cncc2ccccc12 |
MW: | 393.12 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 3.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-548-142 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-08-03 |
Synthesis Location: | enamine |
Shipped: | 2020-08-19 |
Long aliphatic chain
NIR-WEI-f9286bb6-4
0.812
NIR-WEI-f9286bb6-3
0.529
LON-WEI-adc59df6-52
0.464
NIR-WEI-f9286bb6-2
0.447
ERI-UCB-fbdd3ea1-27
0.441
RAL-THA-2d450e86-36
0.378
NAU-LAT-4ce8bf23-3
0.356
DAR-DIA-0587064e-7
0.346
WIL-UNI-0732ac76-2
0.344
NAU-LAT-4ce8bf23-1
0.343
MAT-POS-afd4d4fd-3
0.333
MAT-POS-e69ad64a-3
0.333
PET-UNK-e8c7a26f-1
0.330
MAT-POS-afd4d4fd-1
0.327
RAL-THA-2d450e86-19
0.327
RAL-THA-2d450e86-20
0.327
MAT-POS-fce787c2-1
0.324
MAK-UNK-c749d764-32
0.320
LON-WEI-af038623-3
0.318
VLA-UCB-05e51b3f-16
0.317
DAR-DIA-076fb6ea-1
0.317
PAU-WEI-df8f33bc-1
0.317
ALP-POS-02c6a514-32
0.317
MAT-POS-1f3f1a6f-2
0.317
RAL-THA-2d450e86-22
0.317
IVS-FNM-f9a14d04-1
0.311
ALP-POS-780445ae-2
0.310
VLA-UNK-9a7dc93f-6
0.308
BEN-DND-d1eb1f41-6
0.308
MAT-POS-de59a476-2
0.307
VLA-UNK-9a7dc93f-1
0.307
MAT-POS-fce787c2-5
0.307
RAL-THA-2d450e86-38
0.305
ALP-POS-df536be7-5
0.305
DAR-DIA-6a49afbe-3
0.304
RAL-THA-2d450e86-21
0.304
MAT-POS-fce787c2-3
0.303
MAT-POS-de59a476-1
0.303
MAT-POS-fce787c2-4
0.303
ALP-POS-7c6e02c7-2
0.303
DAR-DIA-6a49afbe-2
0.301
RAL-THA-2d450e86-18
0.301
ALP-POS-3b848b35-1
0.301
DAR-DIA-2b784ede-6
0.301
MAT-POS-3b92565d-2
0.301
PET-UNK-dd44aeb6-2
0.300
MAT-POS-fce787c2-10
0.300
RAL-THA-2d450e86-24
0.300
MAK-UNK-ffc90da7-7
0.297
RAL-THA-2d450e86-9
0.297
RAL-THA-2d450e86-8
0.297
MAT-POS-fce787c2-11
0.297
MAT-POS-bb423b95-7
0.297
DAR-DIA-6a49afbe-7
0.297
RAL-THA-2d450e86-6
0.297
RAL-THA-2d450e86-33
0.296
MAT-POS-23a8a11a-1
0.296
DAR-DIA-6a49afbe-9
0.296
VLA-UNK-9a7dc93f-2
0.295
VLA-UNK-9a7dc93f-5
0.295
DAR-DIA-0587064e-23
0.295
MAK-UNK-919546f0-5
0.295
DAR-DIA-6a49afbe-1
0.293
VLA-UNK-b9c208fe-2
0.293
RAL-THA-2d450e86-34
0.293
DAR-DIA-0587064e-22
0.293
MAT-POS-de59a476-5
0.292
RAL-THA-1d44ff04-5
0.292
DAR-DIA-5ff57136-7
0.292
MAT-POS-50a80394-5
0.292
PET-UNK-94036022-7
0.292
LUO-POS-e1dab717-18
0.292
RAL-THA-2d450e86-2
0.292
PET-UNK-94036022-14
0.292
MAT-POS-fce787c2-8
0.291
DAR-DIA-2b784ede-4
0.291
VLA-UNK-9a7dc93f-7
0.291
PET-UNK-12d8d43f-1
0.291
ALP-POS-6479a3a9-3
0.291
ALP-POS-d7944b10-2
0.291
ALP-POS-d7944b10-1
0.291
MAT-UCL-e2ab2224-2
0.291
DAR-DIA-23aa0b97-20
0.290
PET-UNK-8922bd3c-1
0.290
MAT-POS-1f3f1a6f-1
0.290
RAL-THA-065e0743-1
0.290
MIC-UNK-16ccb665-1
0.290
PET-UNK-8c422e11-3
0.290
KEI-TRE-d5e2018a-56
0.290
MAT-UNK-28cf4d29-1
0.289
ALP-POS-e266d783-2
0.289
MAT-POS-89bd6af1-3
0.289
RAL-THA-2d450e86-30
0.289
MAT-POS-fce787c2-2
0.289
MAK-UNK-919546f0-4
0.287
RAL-THA-2d450e86-25
0.287
PET-UNK-dd44aeb6-1
0.287
RAL-THA-2d450e86-27
0.287
PET-UNK-8c422e11-2
0.287
MAT-POS-de59a476-4
0.287