Molecular Properties | |
SMILES: | C=CC(=O)Nc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1 |
MW: | 331.13 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-15 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ALV-UNI-7ff1a6f9-45
0.603
ALV-UNI-7ff1a6f9-46
0.600
ALV-UNI-7ff1a6f9-47
0.579
JUA-UNI-a9dfaed1-7
0.343
NIM-UNI-bb9030bf-8
0.340
ALV-UNI-7ff1a6f9-48
0.311
WAR-XCH-b0339bbe-15
0.309
MAR-TRE-e86a56b5-77
0.297
SAD-SAT-f0a2747f-4
0.296
LON-WEI-af038623-2
0.289
MAK-UNK-10dfa458-3
0.287
RAL-MED-2de63afb-9
0.287
MAK-UNK-ca11b4f7-2
0.280
JAN-GHE-5a013bed-8
0.279
ALP-POS-f13221e1-1
0.277
JIN-POS-6dc588a4-17
0.274
GIA-UNK-3f36037a-7
0.273
NIM-NMI-8bb27a2b-9
0.272
LON-WEI-af038623-3
0.268
WAR-XCH-bdd24732-33
0.268
RAL-THA-2d450e86-31
0.268
RAL-THA-2d450e86-9
0.268
NIM-NMI-8bb27a2b-26
0.268
MAT-POS-e69ad64a-3
0.267
MAT-POS-23a8a11a-1
0.266
ALP-POS-3b848b35-3
0.266
MAR-TRE-e86a56b5-25
0.263
JOH-UNI-abfda500-7
0.263
ANN-UNI-98d2bf15-3
0.261
JOH-UNI-abfda500-5
0.261
PET-UNK-8922bd3c-1
0.260
SAM-UNK-2684b532-13
0.258
ALP-POS-95b75b4d-8
0.258
VLA-UCB-00f2c2b3-2
0.258
ERI-UCB-ce40166b-4
0.257
ERI-UCB-fbdd3ea1-28
0.256
ALP-POS-95b75b4d-6
0.256
JAN-GHE-83b26c96-14
0.255
MAT-POS-bb423b95-5
0.255
ALP-POS-95b75b4d-3
0.255
DAR-DIA-0cde14eb-76
0.255
RAL-THA-2d450e86-8
0.255
PET-UNK-3c72d439-1
0.255
JOH-UNI-6fede743-2
0.255
RAL-THA-2d450e86-6
0.255
RAL-THA-2d450e86-11
0.255
VLA-UCB-00f2c2b3-1
0.255
DAV-IMP-59dd6621-1
0.253
JOO-IND-6372a4f3-1
0.253
JAN-GHE-83b26c96-13
0.253
ADA-UCB-6c2cb422-1
0.253
RAL-THA-2d450e86-10
0.253
WAR-XCH-b0339bbe-5
0.253
DAR-DIA-076fb6ea-1
0.252
VLA-UCB-05e51b3f-16
0.252
UNK-UNK-2ede4078-51
0.250
RAL-THA-2d450e86-13
0.250
PET-UNK-c9c1e0d8-1
0.250
EDJ-MED-00c1612e-1
0.248
PET-UNK-8df914d1-1
0.248
VLA-UNK-82501c2c-2
0.247
SAD-SAT-24589cd1-8
0.247
JOH-UNI-abfda500-4
0.247
BAR-COM-0f94fc3d-39
0.245
MAT-POS-90fd5f68-22
0.245
MAT-POS-90fd5f68-4
0.245
MAT-POS-f7918075-5
0.245
EDJ-MED-e58735b6-1
0.245
AGN-NEW-c7b24fe3-1
0.245
LON-WEI-af038623-7
0.244
LON-WEI-9739a092-7
0.243
DAR-DIA-0cde14eb-47
0.243
ALP-POS-95b75b4d-10
0.242
OLE-CAR-5b17bec5-6
0.242
RAL-THA-2d450e86-12
0.242
THO-SYG-cc9e9a11-6
0.242
SAD-SAT-24589cd1-1
0.242
SAD-SAT-24589cd1-3
0.242
RAL-THA-2d450e86-4
0.242
AGN-NEW-c7b24fe3-2
0.242
SAD-SAT-24589cd1-5
0.242
MAK-UNK-6ca90168-28
0.241
MAT-POS-90fd5f68-39
0.240
MAT-POS-90fd5f68-40
0.240
VLA-UNK-9a7dc93f-1
0.240
JOH-UNI-61f30276-4
0.240
DAR-DIA-23aa0b97-19
0.240
GAB-REV-70cc3ca5-18
0.240
PET-UNK-c9c1e0d8-2
0.240
ALP-POS-95b75b4d-7
0.240
VLA-UNK-82501c2c-1
0.240
TRY-UNI-714a760b-20
0.240
DAR-DIA-23aa0b97-4
0.239
TRY-UNI-714a760b-6
0.239
ALP-POS-95b75b4d-2
0.239
EDJ-MED-e58735b6-2
0.239
ERI-UCB-ce40166b-1
0.239
MAT-POS-90fd5f68-27
0.238
KEI-TRE-d5e2018a-73
0.238
PET-UNK-e8c7a26f-1
0.238