Molecular Properties | |
SMILES: | C=CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC(C)(C)C)c1cncc2ccccc12 |
MW: | 435.17 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-548-145 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-08-03 |
Synthesis Location: | enamine |
Shipped: | 2020-08-19 |
Long aliphatic chain
NIR-WEI-f9286bb6-1
0.812
LON-WEI-adc59df6-52
0.559
NIR-WEI-f9286bb6-2
0.544
ERI-UCB-fbdd3ea1-27
0.531
NIR-WEI-f9286bb6-3
0.447
RAL-THA-2d450e86-36
0.380
DAR-DIA-0587064e-7
0.349
WIL-UNI-0732ac76-2
0.346
MAT-POS-afd4d4fd-3
0.337
NAU-LAT-4ce8bf23-3
0.333
PAU-WEI-df8f33bc-1
0.331
ALP-POS-02c6a514-32
0.331
LON-WEI-adc59df6-53
0.330
RAL-THA-2d450e86-20
0.330
MAT-POS-afd4d4fd-1
0.330
RAL-THA-2d450e86-19
0.330
MAT-POS-fce787c2-1
0.327
MAK-UNK-919546f0-5
0.326
MAT-POS-e9e99895-12
0.324
LON-WEI-adc59df6-55
0.324
MAT-POS-e69ad64a-3
0.324
MAK-UNK-c749d764-32
0.324
ALP-POS-780445ae-2
0.323
LON-WEI-af038623-3
0.322
NAU-LAT-4ce8bf23-1
0.321
LON-WEI-adc59df6-61
0.320
RAL-THA-2d450e86-22
0.320
MAT-POS-1f3f1a6f-2
0.320
PET-UNK-e8c7a26f-1
0.320
LON-WEI-adc59df6-59
0.318
LON-WEI-adc59df6-81
0.317
MAT-POS-e9e99895-11
0.315
LON-WEI-adc59df6-91
0.315
IVS-FNM-f9a14d04-1
0.315
LON-WEI-adc59df6-76
0.312
MAT-POS-e9e99895-10
0.312
BEN-DND-d1eb1f41-6
0.311
VLA-UNK-9a7dc93f-6
0.311
MAT-POS-de59a476-2
0.311
RAL-THA-2d450e86-38
0.309
PET-UNK-8c422e11-4
0.309
ALP-POS-df536be7-5
0.308
JAN-GHE-d851b096-8
0.308
PET-UNK-8c422e11-1
0.308
VLA-UCB-05e51b3f-16
0.308
DAR-DIA-076fb6ea-1
0.308
RAL-THA-2d450e86-21
0.308
MAT-POS-fce787c2-4
0.307
MAT-POS-de59a476-1
0.307
MAT-POS-fce787c2-3
0.307
LON-WEI-adc59df6-50
0.305
LON-WEI-adc59df6-54
0.305
MAT-POS-3b92565d-2
0.305
RAL-THA-2d450e86-18
0.305
ALP-POS-3b848b35-1
0.305
RAL-THA-2d450e86-24
0.304
PET-UNK-dd44aeb6-2
0.304
MAT-POS-fce787c2-10
0.304
LON-WEI-adc59df6-57
0.303
PET-UNK-8c422e11-2
0.303
MAT-POS-de59a476-4
0.303
ERI-UCB-fbdd3ea1-15
0.303
RAL-MED-9a5eb9cb-12
0.302
LON-WEI-adc59df6-51
0.302
MAT-POS-1f3f1a6f-3
0.302
PET-UNK-5ecb6237-1
0.302
ERI-UCB-fbdd3ea1-4
0.302
RAL-THA-2d450e86-6
0.301
MAT-POS-fce787c2-7
0.301
RAL-THA-2d450e86-9
0.301
MAT-POS-e9e99895-1
0.301
RAL-THA-2d450e86-8
0.301
MAT-POS-fce787c2-11
0.301
LON-WEI-adc59df6-74
0.300
RAL-THA-2d450e86-33
0.300
MAT-POS-23a8a11a-1
0.300
DAR-DIA-0587064e-23
0.298
LON-WEI-8f408cad-8
0.298
ERI-UCB-fbdd3ea1-24
0.298
MAT-POS-fce787c2-5
0.298
VLA-UNK-9a7dc93f-1
0.298
LON-WEI-adc59df6-62
0.297
LON-WEI-adc59df6-71
0.297
ERI-UCB-fbdd3ea1-17
0.297
LON-WEI-adc59df6-63
0.297
VLA-UNK-b9c208fe-2
0.297
RIT-AID-a497c99f-1
0.297
RAL-THA-2d450e86-34
0.297
LON-WEI-adc59df6-96
0.296
MAT-POS-de59a476-5
0.296
DAR-DIA-0587064e-22
0.296
RAL-THA-2d450e86-2
0.296
VLA-UNK-9a7dc93f-7
0.295
ERI-UCB-fbdd3ea1-16
0.295
MAT-POS-1f3f1a6f-1
0.294
LON-WEI-adc59df6-73
0.294
LON-WEI-adc59df6-75
0.294
LON-WEI-adc59df6-82
0.294
PET-UNK-8c422e11-3
0.294
LON-WEI-adc59df6-69
0.294